home← all results complex #48

Complex #48 — Ru(2) [2b]

GT: {"O": 1, "N": 1} → Top-1: {"O": 1, "N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
66
Candidates
{"O": 1, "N": 1}
Ground Truth
{"O": 1, "N": 1}
Top-1 Prediction
0.880
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.88 ± 0.10
C1c2c([O][Ru+]<-[N]=1Cc1ccco1)ccc1ccccc21
#1 TOP-1 0.51 ± 0.36
C1=C[CH]2[CH]3[CH]4[CH]1[Ru+]2431[O]c2ccc3ccccc3c2C=[N]->1Cc1ccco1
#2 0.01 ± 0.00
C1c2c([O-]->[Ru+2]<-[N]=1Cc1ccco1)ccc1ccccc21
#2 0.22 ± 0.42
C1c2c([O][Ru+]34567(<-[cH]8[cH]->3[cH]->4[cH]->5[cH]->6[cH]->78)<-[N]=1Cc1ccco1)ccc1ccccc21
#3 0.00 ± 0.00
[Ru+][O]c1ccc2ccccc2c1C=NCc1ccco1
#3 0.15 ± 0.24
C1c2c([O][Ru+]345(<-[cH]6cc[cH]->3[cH]->4[cH]->56)<-[N]=1Cc1ccco1)ccc1ccccc21
#4 0.00 ± 0.00
[O-]c1ccc2ccccc2c1[CH]1[Ru+2]<-[NH]1Cc1ccco1
#4 0.13 ± 0.14
C1=C[CH]2[CH](C=C1)[Ru+]21[O]c2ccc3ccccc3c2C=[N]->1Cc1ccco1
#5 0.00 ± 0.00
[O-]c1ccc2ccccc2c1[CH]1[Ru+2][N]1Cc1ccco1
#5 0.12 ± 0.14
C1c2c([O][Ru+]3(<-[cH]4cccc[cH]->34)<-[N]=1Cc1ccco1)ccc1ccccc21
#6 0.00 ± 0.00
C(=NCc1ccco1)c1c2[O][Ru+]<-[cH](c2)c2ccccc12
#6 0.00 ± 0.00
C1c2c([O][Ru+](<-[cH]3ccccc3)<-[N]=1Cc1ccco1)ccc1ccccc21
#7 0.00 ± 0.00
C(=NCc1ccco1)c1c2[O][Ru+]<-[cH]3cccc1c3cc2
#7 0.00 ± 0.00
C1c2c([O][Ru]34(<-[cH]5ccc[cH]->3[cH]->45)<-[N]=1Cc1ccco1)ccc1ccccc21
#8 0.00 ± 0.00
C(=NCc1ccco1)c1c2[O][Ru+]<-[cH]3cccc(cc2)c13
#9 0.00 ± 0.00
[Ru+2]<-[O-]c1ccc2ccccc2c1C=NCc1ccco1
#10 0.00 ± 0.00
[O-]c1ccc2c(c1C=NCc1ccco1)C=C[CH]1[Ru+2][CH]21
#11 0.00 ± 0.00
[O-]c1ccc2ccccc2c1C=[N](->[Ru+2])Cc1ccco1
#12 0.00 ± 0.00
[O-]c1cc[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->5[c]->62c1C=NCc1ccco1)[cH]->73
#13 0.00 ± 0.00
[O-]c1ccc2c(c1C=NCc1ccco1)[CH]1[Ru+2][CH]1C=C2
#14 0.00 ± 0.00
[O-]c1ccc2c(c1C=NCc1ccco1)=C[CH]1[Ru+2][CH]1C=2
#15 0.00 ± 0.00
C(=NCc1ccco1)c1c2[O][Ru+]<-[cH]3ccc1c(cc2)c3
#16 0.00 ± 0.00
C1=NCc2occ[cH]2->[Ru+][O]c2ccc3ccccc3c21
#17 0.00 ± 0.00
C(=NCc1ccco1)c1c2[O][Ru+]<-[cH]3ccc(cc2)c1c3
#18 0.00 ± 0.00
C1=NCc2c[cH](->[Ru+][O]c3ccc4ccccc4c31)co2
#19 0.00 ± 0.00
[O-]c1ccc2c(cc[cH]3->[Ru+2]<-[cH]23)c1C=NCc1ccco1
#20 0.00 ± 0.00
[O-]c1ccc2cc[cH]3->[Ru+2]<-[cH]3c2c1C=NCc1ccco1
#21 0.00 ± 0.00
[O-]c1c(C=NCc2ccco2)c2ccccc2[cH]2->[Ru+2]<-[cH]12
#22 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+2]<-[cH]3cc2c1C=NCc1ccco1
#23 0.00 ± 0.00
[O-]c1ccc2ccccc2c1C=NCc1ccc[o]1->[Ru+2]
#24 0.00 ± 0.00
[O-]c1cc[c]23->[Ru+2]<-[c]2(cccc3)c1C=NCc1ccco1
#25 0.00 ± 0.00
[O-]c1ccc2c(c1C=NCc1ccco1)[CH]1[CH]3[CH]4[CH]2[Ru+2]143
#26 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+]4<-[cH](c2c1C=NCc1ccco1)[cH]->43
#27 0.00 ± 0.00
[O-]c1ccc2c(c[cH]3->[Ru+]4<-[cH]2[cH]->43)c1C=NCc1ccco1
#28 0.00 ± 0.00
[O-]c1ccc2ccccc2c1C=NCc1oc[cH]2->[Ru+2]<-[cH]12
#29 0.00 ± 0.00
[O-]c1ccc2c(c1C=NCc1ccco1)[cH]1->[Ru+2]34<-[cH]2[cH]->3[cH]->41
#30 0.00 ± 0.00
[O-]c1c(C=NCc2ccco2)c2c[cH]3->[Ru+2]4<-[cH]1[cH]->4c2cc3
#31 0.00 ± 0.00
[O-]c1c(C=NCc2ccco2)c2c3cc[cH]4->[Ru+2](<-[cH]1c3)<-[cH]24
#32 0.00 ± 0.00
[O-]c1c(C=NCc2ccco2)c2c3ccc[cH]2->[Ru+2]2<-[cH]1[cH]->23
#33 0.00 ± 0.00
[O-]c1c(C=NCc2ccco2)c2cc[cH]3->[Ru+2]4<-[cH]1cc2[cH]->43
#34 0.00 ± 0.00
[O-]c1c(C=NCc2ccco2)c2cc[cH]3->[Ru+2]4<-[cH]1[cH]->4c2c3
#35 0.00 ± 0.00
[O-]c1c[cH]2->[Ru+2]3<-[cH]4ccc2c(c1C=NCc1ccco1)[cH]->34
#36 0.00 ± 0.00
[O-]c1c(C=NCc2ccco2)c2c[cH]3->[Ru+2]4<-[cH]1cc2c[cH]->43
#37 0.00 ± 0.00
[O-]c1c2C=NCc3occ[cH]3->[Ru+2]3<-[cH]1[cH]->3c1ccccc21
#38 0.00 ± 0.00
[O-]c1ccc2c3ccc[cH]2->[Ru+2]2<-[cH]4coc(CN=Cc13)[cH]->24
#39 0.00 ± 0.00
[O-]c1c2C=NCc3c[cH](->[Ru+2]4<-[cH]1[cH]->4c1ccccc21)co3
#40 0.00 ± 0.00
[O-]c1ccc2ccc[cH](->[Ru+2])c2c1C=NCc1ccco1
#41 0.00 ± 0.00
[O-]c1ccc2c(ccc[cH]2->[Ru+2])c1C=NCc1ccco1
#42 0.00 ± 0.00
[O-]c1ccc2ccc[cH]3->[Ru+2]4<-[cH]5coc(CN=Cc1c23)[cH]->45
#43 0.00 ± 0.00
[O-]c1c[cH]2->[Ru+2]3<-[cH]4cc(c1C=NCc1ccco1)c2c[cH]->34
#44 0.00 ± 0.00
[O-]c1c2C=NCc3oc[cH]4->[Ru+2](<-[cH]1cc1ccccc21)<-[cH]34
#45 0.00 ± 0.00
[O-]c1ccc2c3cc[cH]4->[Ru+2](<-[cH]5ccoc5CN=Cc13)<-[cH]24
#46 0.00 ± 0.00
[O-]c1ccc2cc[cH]3->[Ru+2]4<-[cH]5ccoc5CN=Cc1c2[cH]->43
#47 0.00 ± 0.00
[O-]c1c[cH]2->[Ru+2]3<-[cH]4coc(CN=Cc1c1ccccc12)[cH]->34
#48 0.00 ± 0.00
[O-]c1ccc2c3cc[cH]4->[Ru+2](<-[cH]5coc(CN=Cc13)c5)<-[cH]24
#49 0.00 ± 0.00
[O-]c1ccc2cc[cH]3->[Ru+2]4<-[cH]5coc(CN=Cc1c2[cH]->43)c5
#50 0.00 ± 0.00
[O-]c1ccc2cc[cH]3->[Ru+2]4<-[cH]5coc(CN=Cc1c2c3)[cH]->45
#51 0.00 ± 0.00
[O-]c1ccc2cc[cH](->[Ru+2])cc2c1C=NCc1ccco1
#52 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+2]4<-[cH]5ccoc5CN=Cc1c2c[cH]->43
#53 0.00 ± 0.00
[O-]c1c[cH](->[Ru+2])c2ccccc2c1C=NCc1ccco1
#54 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+2]4<-[cH]5coc(CN=Cc1c2cc3)[cH]->45
#55 0.00 ± 0.00
[O-]c1ccc2c[cH]3->[Ru+2]4<-[cH]5coc(CN=Cc1c2c[cH]->43)c5
#56 0.00 ± 0.00
[O-]c1ccc2c[cH](->[Ru+2])ccc2c1C=NCc1ccco1
#57 0.00 ± 0.00
[O-]c1c(C=NCc2ccco2)c2ccccc2c[cH]1->[Ru+2]
#58 0.00 ± 0.00
[O-]c1ccc2ccccc2c1C=NCc1c[cH](->[Ru+2])co1
#59 0.00 ± 0.00
[O-]c1ccc2ccccc2c1C=NCc1occ[cH]1->[Ru+2]