home← all results complex #50

Complex #50 — Ru(2) [5b]

GT: {"O": 1, "N": 1} → Top-1: {"O": 1, "N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
63
Candidates
{"O": 1, "N": 1}
Ground Truth
{"O": 1, "N": 1}
Top-1 Prediction
0.760
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.76 ± 0.26
c1coc(C[NH]2Cc3c([O][Ru+]<-2)ccc2ccccc32)c1
#1 TOP-1 0.64 ± 0.38
C1=C[CH]2[CH]3[CH]4[CH]1[Ru+]2431[O]c2ccc3ccccc3c2C[NH]->1Cc1ccco1
#2 0.01 ± 0.01
[Ru+][O]c1ccc2ccccc2c1CNCc1ccco1
#2 0.47 ± 0.42
c1coc(C[NH]2Cc3c([O][Ru+]<-24<-[cH]2cccc[cH]->42)ccc2ccccc32)c1
#3 0.00 ± 0.00
[O-]c1ccc2ccccc2c1C[NH](->[Ru+2])Cc1ccco1
#3 0.30 ± 0.30
C1=C[CH]2[CH](C=C1)[Ru+]21[O]c2ccc3ccccc3c2C[NH]->1Cc1ccco1
#4 0.00 ± 0.00
c1coc(CNCc2c3[O][Ru+]<-[cH](c3)c3ccccc23)c1
#4 0.29 ± 0.44
c1coc(C[NH]2Cc3c([O][Ru+]<-245678<-[cH]2[cH]->4[cH]->5[cH]->6[cH]->7[cH]->82)ccc2ccccc32)c1
#5 0.00 ± 0.00
c1coc(CNCc2c3[O][Ru+]<-[cH]4cccc2c4cc3)c1
#5 0.25 ± 0.33
c1coc(C[NH]2Cc3c([O][Ru+]<-2456<-[cH]2cc[cH]->4[cH]->5[cH]->62)ccc2ccccc32)c1
#6 0.00 ± 0.00
c1coc(CNCc2c3[O][Ru+]<-[cH]4cccc(cc3)c24)c1
#6 0.12 ± 0.26
c1cc[cH](->[Ru+]2[O]c3ccc4ccccc4c3C[NH]->2Cc2ccco2)cc1
#7 0.00 ± 0.00
[Ru+2]<-[O-]c1ccc2ccccc2c1CNCc1ccco1
#7 0.00 ± 0.00
c1coc(C[NH]2Cc3c([O][Ru]<-245<-[cH]2ccc[cH]->4[cH]->52)ccc2ccccc32)c1
#8 0.00 ± 0.00
[O-]c1ccc2c(c1CNCc1ccco1)C=C[CH]1[Ru+2][CH]21
#9 0.00 ± 0.00
[O-]c1cc[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->5[c]->62c1CNCc1ccco1)[cH]->73
#10 0.00 ± 0.00
[O-]c1ccc2c(c1CNCc1ccco1)[CH]1[Ru+2][CH]1C=C2
#11 0.00 ± 0.00
c1coc(CNCc2c3[O][Ru+]<-[cH]4ccc(cc3)c2c4)c1
#12 0.00 ± 0.00
c1coc(CNCc2c3[O][Ru+]<-[cH]4ccc2c(cc3)c4)c1
#13 0.00 ± 0.00
[O-]c1ccc2c(c1CNCc1ccco1)=C[CH]1[Ru+2][CH]1C=2
#14 0.00 ± 0.00
c1ccc2c3CNCc4c[cH](->[Ru+][O]c3ccc2c1)co4
#15 0.00 ± 0.00
[O-]c1ccc2c(cc[cH]3->[Ru+2]<-[cH]23)c1CNCc1ccco1
#16 0.00 ± 0.00
[O-]c1ccc2cc[cH]3->[Ru+2]<-[cH]3c2c1CNCc1ccco1
#17 0.00 ± 0.00
c1ccc2c3CNCc4occ[cH]4->[Ru+][O]c3ccc2c1
#18 0.00 ± 0.00
[O-]c1c(CNCc2ccco2)c2ccccc2[cH]2->[Ru+2]<-[cH]12
#19 0.00 ± 0.00
[O-]c1ccc2c(c1CNCc1ccco1)[CH]1[CH]3[CH]4[CH]2[Ru+2]143
#20 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+2]<-[cH]3cc2c1CNCc1ccco1
#21 0.00 ± 0.00
[O-]c1ccc2c(c[cH]3->[Ru+]4<-[cH]2[cH]->43)c1CNCc1ccco1
#22 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+]4<-[cH](c2c1CNCc1ccco1)[cH]->43
#23 0.00 ± 0.00
[O-]c1cc[c]23->[Ru+2]<-[c]2(cccc3)c1CNCc1ccco1
#24 0.00 ± 0.00
[O-]c1ccc2ccccc2c1CNCc1ccc[o]1->[Ru+2]
#25 0.00 ± 0.00
[O-]c1ccc2c(c1CNCc1ccco1)[cH]1->[Ru+2]34<-[cH]2[cH]->3[cH]->41
#26 0.00 ± 0.00
[O-]c1ccc2ccccc2c1CNCc1oc[cH]2->[Ru+2]<-[cH]12
#27 0.00 ± 0.00
[O-]c1c(CNCc2ccco2)c2c[cH]3->[Ru+2]4<-[cH]1[cH]->4c2cc3
#28 0.00 ± 0.00
[O-]c1c(CNCc2ccco2)c2c3ccc[cH]2->[Ru+2]2<-[cH]1[cH]->23
#29 0.00 ± 0.00
[O-]c1c(CNCc2ccco2)c2c3cc[cH]4->[Ru+2](<-[cH]1c3)<-[cH]24
#30 0.00 ± 0.00
[O-]c1c(CNCc2ccco2)c2cc[cH]3->[Ru+2]4<-[cH]1cc2[cH]->43
#31 0.00 ± 0.00
[O-]c1c[cH]2->[Ru+2]3<-[cH]4ccc2c(c1CNCc1ccco1)[cH]->34
#32 0.00 ± 0.00
[O-]c1c(CNCc2ccco2)c2cc[cH]3->[Ru+2]4<-[cH]1[cH]->4c2c3
#33 0.00 ± 0.00
[O-]c1ccc2ccc[cH](->[Ru+2])c2c1CNCc1ccco1
#34 0.00 ± 0.00
[O-]c1ccc2c(ccc[cH]2->[Ru+2])c1CNCc1ccco1
#35 0.00 ± 0.00
[O-]c1c[cH]2->[Ru+2]3<-[cH]4cc(c1CNCc1ccco1)c2c[cH]->34
#36 0.00 ± 0.00
[O-]c1c(CNCc2ccco2)c2c[cH]3->[Ru+2]4<-[cH]1cc2c[cH]->43
#37 0.00 ± 0.00
[O-]c1c2CNCc3c[cH](->[Ru+2]4<-[cH]1[cH]->4c1ccccc21)co3
#38 0.00 ± 0.00
[O-]c1ccc2c3ccc[cH]2->[Ru+2]2<-[cH]4coc(CNCc13)[cH]->24
#39 0.00 ± 0.00
[O-]c1ccc2cc[cH](->[Ru+2])cc2c1CNCc1ccco1
#40 0.00 ± 0.00
[O-]c1c[cH](->[Ru+2])c2ccccc2c1CNCc1ccco1
#41 0.00 ± 0.00
[O-]c1ccc2ccc[cH]3->[Ru+2]4<-[cH]5coc(CNCc1c23)[cH]->45
#42 0.00 ± 0.00
[O-]c1ccc2c3cc[cH]4->[Ru+2](<-[cH]5coc(CNCc13)c5)<-[cH]24
#43 0.00 ± 0.00
[O-]c1ccc2cc[cH]3->[Ru+2]4<-[cH]5coc(CNCc1c2[cH]->43)c5
#44 0.00 ± 0.00
[O-]c1c[cH]2->[Ru+2]3<-[cH]4coc(CNCc1c1ccccc12)[cH]->34
#45 0.00 ± 0.00
[O-]c1c2CNCc3occ[cH]3->[Ru+2]3<-[cH]1[cH]->3c1ccccc21
#46 0.00 ± 0.00
[O-]c1c2CNCc3oc[cH]4->[Ru+2](<-[cH]1cc1ccccc21)<-[cH]34
#47 0.00 ± 0.00
[O-]c1ccc2cc[cH]3->[Ru+2]4<-[cH]5coc(CNCc1c2c3)[cH]->45
#48 0.00 ± 0.00
[O-]c1ccc2c3cc[cH]4->[Ru+2](<-[cH]5ccoc5CNCc13)<-[cH]24
#49 0.00 ± 0.00
[O-]c1ccc2cc[cH]3->[Ru+2]4<-[cH]5ccoc5CNCc1c2[cH]->43
#50 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+2]4<-[cH]5coc(CNCc1c2c[cH]->43)c5
#51 0.00 ± 0.00
[O-]c1ccc2c[cH](->[Ru+2])ccc2c1CNCc1ccco1
#52 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+2]4<-[cH]5coc(CNCc1c2cc3)[cH]->45
#53 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+2]4<-[cH]5ccoc5CNCc1c2c[cH]->43
#54 0.00 ± 0.00
[O-]c1c(CNCc2ccco2)c2ccccc2c[cH]1->[Ru+2]
#55 0.00 ± 0.00
[O-]c1ccc2ccccc2c1CNCc1c[cH](->[Ru+2])co1
#56 0.00 ± 0.00
[O-]c1ccc2ccccc2c1CNCc1occ[cH]1->[Ru+2]