home← all results complex #256

Complex #256 — Ru(3) [[3]NO3]

GT: {"N": 4, "O": 1} → Top-1: {"O": 1, "N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
87
Candidates
{"N": 4, "O": 1}
Ground Truth
{"O": 1, "N": 1}
Top-1 Prediction
0.000
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.00 ± 0.01
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@H]5[C@@H]4NC4[O][Ru+2]<...
#1 TOP-1 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@H]5[C@@H]4NC4[O][Ru+2]6...
#2 0.00 ± 0.00
C=C(CC)C1=[O]->[Ru+2][O]C2=N[C@H]3CS[C@@H](CCCCC(=O)OCCOC(=O)c4ccnc(-c5cc(C(=O)OCCOC(=O)COc6ccc1c(Cl...
#2 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@H]5[C@@H]4NC4[O][Ru+2]6...
#3 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc4C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@H]6[C@@H]5NC5[O][Ru+2](...
#3 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@H]5[C@@H]4NC4[O][Ru+2](...
#4 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n]3->[Ru+2]4[O]C5=[N]->4[C@H]4CS[C@@H](CCCCC(=O)OCCOC(=O)c6cc...
#4 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@H]5[C@@H]4NC4[O][Ru+2](...
#5 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC4CCCC[C@@H]5SC[C@@H]6N=C([O][Ru+2]<-[O]=4)N...
#6 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O][Ru+2])N[C@@...
#7 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C4OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O][Ru+2]<-[O]=4)N...
#8 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC2OCCOC(=O)c3ccnc(-c4cc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O][Ru+2]<-[O]=2)N...
#9 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc4C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O][Ru+2]<-[n]3...
#10 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC2=[O]->[Ru+2][O]C3=N[C@H]4CS[C@@H](CCCCC(=O)OCCOC(=O)c5ccnc(-c6cc2ccn6...
#11 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n]3->[Ru+2][O]C4=N[C@H]5CS[C@@H](CCCCC(=O)OCCOC(=O)c6ccnc(-c3...
#12 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@H]5[C@@H]4NC([O-])=[N]5...
#13 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n]3->[Ru+3]4<-[N]5=C([O-])N[C@@H]6[C@H](CCCCC(=O)OCCOC(=O)c7c...
#14 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc4C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@H]6[C@@H]5NC([O-])=[N]6...
#15 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n]3->[Ru+3]<-[N]4=C([O-])N[C@@H]5[C@H](CCCCC(=O)OCCOC(=O)c6cc...
#16 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n]3->[Ru+3]<-[n]4ccc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O...
#17 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@H]4[C@H]5NC([O-])=N[C@H]5C[S]4->...
#18 0.00 ± 0.00
C=C(CC)C(=O)c1ccc([O]2CC(=O)[O]3CC[O](C(=O)c4ccnc(-c5cc(C(=O)OCCOC(=O)CCCC[C@@H]6SC[C@@H]7N=C([O-])N...
#19 0.00 ± 0.00
C=C(CC)C(=[O]->[Ru+3])c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])...
#20 0.00 ± 0.00
C=C(CC)C1=[O]->[Ru+3]<-[O]=C(CCCC[C@@H]2SC[C@@H]3N=C([O-])N[C@@H]32)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC...
#21 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@H]4[C@H]5NC([O-])=[N]6->[Ru+3]<-...
#22 0.00 ± 0.00
C=C(CC)C1=[O]->[Ru+3]<-[O]=C(COc2ccc1c(Cl)c2Cl)OCCOC(=O)c1ccnc(-c2cc(C(=O)OCCOC(=O)CCCC[C@@H]3SC[C@@...
#23 0.00 ± 0.00
C=C(CC)C(=O)c1ccc([O]2CC(=O)[O]3CCOC(=O)c4ccnc(-c5cc(C(=O)OCC[O](C(=O)CCCC[C@@H]6SC[C@@H]7N=C([O-])N...
#24 0.00 ± 0.00
C=C(CC)C1=[O]->[Ru+3]<-[O]=C(OCCOC(=O)CCCC[C@@H]2SC[C@@H]3N=C([O-])N[C@@H]32)c2ccnc(-c3cc(C(=O)OCCOC...
#25 0.00 ± 0.00
C=C(CC)C1=[O]->[Ru+3]<-[O]=C(OCCOC(=O)COc2ccc1c(Cl)c2Cl)c1ccnc(-c2cc(C(=O)OCCOC(=O)CCCC[C@@H]3SC[C@@...
#26 0.00 ± 0.00
C=C(CC)C(=O)c1ccc([O]2CC(=O)[O]3CCOC(=O)c4ccnc(-c5cc(C(=O)[O](CCOC(=O)CCCC[C@@H]6SC[C@@H]7N=C([O-])N...
#27 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(CCCC[C@@H]4SC[C@@H]5N=C([O-])N[C@@H]54)=[O...
#28 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[C@@H]54)...
#29 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n](->[Ru+3])c(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-...
#30 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[C@@H]54)ccn...
#31 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC2OCCOC(=O)c3ccnc(-c4cc(C(=O)OCCOC(CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@@H]65)=[O]->...
#32 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[C@@H]54)=[O...
#33 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=[O]->[Ru+3])c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])...
#34 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC2=[O]->[Ru+3]<-[O]=C(CCCC[C@@H]3SC[C@@H]4N=C([O-])N[C@@H]43)OCCOC(=O)c...
#35 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C4OCCOC(CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@@H]65)=[O]->...
#36 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC2OCCOC(=[O]->[Ru+3]<-[O]=2)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([...
#37 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC2OCCOC(=O)c3ccnc(-c4cc(C(OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@@H]65)=[O]->...
#38 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC2=[O]->[Ru+3]<-[O]=C(OCCOC(=O)CCCC[C@@H]3SC[C@@H]4N=C([O-])N[C@@H]43)c...
#39 0.00 ± 0.00
C=C(CC)[C]1(c2ccc(OCC(=O)OCCOC(=O)c3ccnc(-c4cc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@@H]65)...
#40 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)[O](->[Ru+3])CCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-...
#41 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCC[O](->[Ru+3])C(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-...
#42 0.00 ± 0.00
C=C(CC)C(=O)c1ccc([O]2CC(=O)[O](CCOC(=O)c3ccnc(-c4cc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@...
#43 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)[O](->[Ru+3])CCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-...
#44 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCC[O](->[Ru+3])C(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-...
#45 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-]->[Ru+3])N[...
#46 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc4C(=O)OCCOC(=O)CCCC[C@H]5[C@@H]6[C@@H]7C[S]5->[Ru+3](<...
#47 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)[O]2CCOC(=O)c3ccnc(-c4cc(C(=O)OCCOC(CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@@H]65)...
#48 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n]3->[Ru+3]4<-[NH]5C([O-])=N[C@H]6C[S]->4[C@@H](CCCCC(=O)OCCO...
#49 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC2OCCOC(=O)c3ccnc(-c4cc(C(=O)OCC[O](->[Ru+3]<-[O]=2)C(=O)CCCC[C@@H]2SC[C@@H]5N=C...
#50 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCC[O]2->[Ru+3]<-[O]=C(CCCC[C@@H]3SC[C@@H]4N=C([O-])N[C@@H]43)OCCOC(=O)c3cc...
#51 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC2=[O]->[Ru+3]<-[O](CCOC(=O)c3ccnc(-c4cc2ccn4)c3)C(=O)CCCC[C@@H]2SC[C@@...
#52 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C4OCC[O](->[Ru+3]<-[O]=4)C(=O)CCCC[C@@H]4SC[C@@H]5N=C...
#53 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@H]4[C@@H]5[C@@H]6C[S]4->[Ru+3]<-...
#54 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)[O]4CCOC(CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@@H]65)...
#55 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)[O]4CC[O](->[Ru+3]<-4)C(=O)CCCC[C@@H]4SC[C@@H]5N...
#56 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)[O]2CCOC(=O)c3ccnc(-c4cc(C(OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@@H]65)...
#57 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)[O]2CCOC(=[O]->[Ru+3]<-2)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C...
#58 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])[NH](->[Ru...
#59 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC2OCCOC(=O)c3ccnc(-c4cc(C(=O)[O](CCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@@H]65)...
#60 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC2=[O]->[Ru+3]<-[O](CCOC(=O)CCCC[C@@H]3SC[C@@H]4N=C([O-])N[C@@H]43)C(=O...
#61 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)[O]2CC[O](->[Ru+3]<-2)C(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N...
#62 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCC[O]2->[Ru+3]<-[O]=C(OCCOC(=O)CCCC[C@@H]3SC[C@@H]4N=C([O-])N[C@@H]43)c3cc...
#63 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC2OCC[O](->[Ru+3]<-[O]=2)C(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C...
#64 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n]3->[Ru+3]<-[S]4C[C@@H]5N=C([O-])N[C@@H]5[C@@H]4CCCCC(=O)OCC...
#65 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc4C(=O)OCCOC(=O)CCCC[C@H]5[C@H]6NC([O-])=N[C@H]6C[S]5->...
#66 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n]3->[Ru+3]4<-[n]5ccc(C(=O)OCCOC(=O)CCCC[C@@H]6SC[C@@H]7N=C([...
#67 0.00 ± 0.00
CC[C]1(C(=O)c2ccc(OCC(=O)OCCOC(=O)c3ccnc(-c4cc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@@H]65)...
#68 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc4C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])[NH](->[Ru...
#69 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc[n]3->[Ru+3]<-[NH]4C([O-])=N[C@H]5CS[C@@H](CCCCC(=O)OCCOC(=O)c...
#70 0.00 ± 0.00
CCC(=[CH2]->[Ru+3])C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-...
#71 0.00 ± 0.00
C=C(CC)C(=O)c1c(Cl)c(Cl)c(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[...
#72 0.00 ± 0.00
C=C(CC)C(=O)c1c(Cl)c(Cl)c(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[...
#73 0.00 ± 0.00
C=C(CC)C(=O)c1c[cH](->[Ru+3])c(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O...
#74 0.00 ± 0.00
C=C(CC)C(=O)c1c(Cl)c(Cl)c2OCC(=O)OCCOC(=O)c3ccnc(-c4cc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[...
#75 0.00 ± 0.00
C=C(CC)C(=O)c1c(Cl)c(Cl)c2OCC(=O)OCCOC(=O)c3cc[n](->[Ru+3]4<-[cH]2[cH]->41)c(-c1cc(C(=O)OCCOC(=O)CCC...
#76 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[C@@H]54)...
#77 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[C@@H]54)cc...
#78 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[C@@H]54)...
#79 0.00 ± 0.00
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3nccc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[C@@H]5...
#80 0.00 ± 0.00
C=C(CC)C(=O)c1c(Cl)c(Cl)c2OCC(=O)OCCOC(=O)c3cc(-c4cc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[C@...
#81 0.00 ± 0.00
C=C(CC)C(=O)c1c(Cl)c(Cl)c2OCC(=O)OCCOC(=O)c3ccnc(-c4cc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[...
#82 0.00 ± 0.00
C=C(CC)C(=O)c1c(Cl)c(Cl)c2OCC(=O)OCCOC(=O)c3ccnc(-c4cc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])N[...
#83 0.00 ± 0.00
C=C(CC)C(=O)c1c(Cl)c(Cl)c2OCC(=O)OCCOC(=O)c3ccnc(-c4nccc(C(=O)OCCOC(=O)CCCC[C@@H]5SC[C@@H]6N=C([O-])...