home← all results complex #225

Complex #225 — Ru(2) [4]

GT: {"N": 2, "O": 1} → Top-1: {"N": 1, "O": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
30
Candidates
{"N": 2, "O": 1}
Ground Truth
{"N": 1, "O": 1}
Top-1 Prediction
0.680
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.68 ± 0.27
COc1cccc2C=[N](->[Ru+][O]c21)c1c(C)cc(CN2CCOCC2)cc1C
#1 TOP-1 0.19 ± 0.41
COc1cccc2C=[N](c3c(C)cc(CN4CCOCC4)cc3C)->[Ru+]34567([O]c21)<-[cH]1[cH]->3[c]->4(C(C)C)[cH]->5[cH]->6...
#2 0.04 ± 0.06
COc1cccc2C=Nc3c(C)cc(C[N]45->[Ru+]([O]c21)<-[O](CC4)CC5)cc3C
#2 0.09 ± 0.18
COc1cccc2C=[N](c3c(C)cc(CN4CCOCC4)cc3C)->[Ru+]3([O]c21)<-[cH]1c(C)ccc(C(C)C)[cH]->31
#3 0.01 ± 0.01
COc1cccc2C=[N](->[Ru+2]<-[O-]c21)c1c(C)cc(CN2CCOCC2)cc1C
#3 0.00 ± 0.00
COc1cccc2C=[N](c3c(C)cc(CN4CCOCC4)cc3C)->[Ru+]([O]c21)<-[cH]1cc(C)ccc1C(C)C
#4 0.01 ± 0.01
Cc1cc2C[N]3(->[Ru+]4[O]c5c(C=Nc1c(C)c2)cccc5[O]->4C)CCOCC3
#4 0.00 ± 0.00
COc1cccc2C=[N](c3c(C)cc(CN4CCOCC4)cc3C)->[Ru+]([O]c21)<-[cH]1cc(C(C)C)ccc1C
#5 0.00 ± 0.00
Cc1cc(CN2CCOCC2)cc(C)c1N=Cc1cccc2[O](C)->[Ru+][O]c12
#6 0.00 ± 0.00
COc1cccc(C=Nc2c(C)cc(CN3CCOCC3)cc2C)c1[O][Ru+]
#7 0.00 ± 0.00
COc1cccc2C=Nc3c(C)cc(C[N]4(->[Ru+][O]c21)CCOCC4)cc3C
#8 0.00 ± 0.00
COc1cc[cH]2->[Ru+][O]c1c2C=Nc1c(C)cc(CN2CCOCC2)cc1C
#9 0.00 ± 0.00
COc1cccc([CH]2[Ru+2][N]2c2c(C)cc(CN3CCOCC3)cc2C)c1[O-]
#10 0.00 ± 0.00
COc1c2[O][Ru+]<-[cH]1ccc2C=Nc1c(C)cc(CN2CCOCC2)cc1C
#11 0.00 ± 0.00
COc1cccc2C=Nc3c(C)cc(CN4CCOCC4)[cH](->[Ru+][O]c21)c3C
#12 0.00 ± 0.00
COc1c[cH]2->[Ru+][O]c1c(C=Nc1c(C)cc(CN3CCOCC3)cc1C)c2
#13 0.00 ± 0.00
COc1cccc(C=Nc2c(C)cc(CN3CCOCC3)cc2C)c1[O-]->[Ru+2]
#14 0.00 ± 0.00
COc1cccc(C=Nc2c(C)cc(C[N]3(->[Ru+2])CCOCC3)cc2C)c1[O-]
#15 0.00 ± 0.00
COc1cc[cH]2->[Ru+2]<-[N](=Cc2c1[O-])c1c(C)cc(CN2CCOCC2)cc1C
#16 0.00 ± 0.00
COc1cccc(C=[N](->[Ru+2])c2c(C)cc(CN3CCOCC3)cc2C)c1[O-]
#17 0.00 ± 0.00
COc1c([O-])c(C=Nc2c(C)cc(CN3CCOCC3)cc2C)c[cH]2->[Ru+2]<-[cH]12
#18 0.00 ± 0.00
COc1cccc(C=Nc2c(C)cc(CN3CC[O](->[Ru+2])CC3)cc2C)c1[O-]
#19 0.00 ± 0.00
COc1c[cH]2->[Ru+2]<-[cH]2c(C=Nc2c(C)cc(CN3CCOCC3)cc2C)c1[O-]
#20 0.00 ± 0.00
COc1c([O-])c(C=Nc2c(C)cc(CN3CCOCC3)cc2C)[cH]2->[Ru+]3<-[cH]1[cH]->32
#21 0.00 ± 0.00
COc1c[cH](->[Ru+2])cc(C=Nc2c(C)cc(CN3CCOCC3)cc2C)c1[O-]
#22 0.00 ± 0.00
COc1c([O-])c2C=Nc3c(C)cc(CN4CCOCC4)[cH](->[Ru+2]4<-[cH](c2)[cH]->41)c3C
#23 0.00 ± 0.00
COc1cc[cH](->[Ru+2])c(C=Nc2c(C)cc(CN3CCOCC3)cc2C)c1[O-]
#24 0.00 ± 0.00
COc1c([O-])c(C=Nc2c(C)cc(CN3CCOCC3)cc2C)cc[cH]1->[Ru+2]
#25 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]4c(CN5CCOCC5)cc(C)c(N=Cc(c1[O-])[cH]->32)c4C
#26 0.00 ± 0.00
COc1cccc(C=Nc2c(C)cc(CN3CCOCC3)[cH](->[Ru+2])c2C)c1[O-]