home← all results complex #227

Complex #227 — Ru(2) [6]

GT: {"N": 2, "O": 1} → Top-1: {"O": 1, "N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
52
Candidates
{"N": 2, "O": 1}
Ground Truth
{"O": 1, "N": 1}
Top-1 Prediction
0.500
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.50 ± 0.26
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1[N]1=Cc2c([O][Ru+]<-1)ccc1ccccc21
#1 TOP-1 0.18 ± 0.40
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1[N]1=Cc2c([O][Ru+]<-134567<-[cH]1[cH]->3[c]->4(C(C)C)[cH]->5[cH]->6[c...
#2 0.01 ± 0.02
CC(C)c1cc2C[N]34->[Ru+]([O]c5ccc6ccccc6c5C=Nc1c(C(C)C)c2)<-[O](CC3)CC4
#2 0.05 ± 0.10
Cc1ccc(C(C)C)[cH]2->[Ru+]3([O]c4ccc5ccccc5c4C=[N]->3c3c(C(C)C)cc(CN4CCOCC4)cc3C(C)C)<-[cH]12
#3 0.01 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1[N]1=Cc2c([O-]->[Ru+2]<-1)ccc1ccccc21
#3 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+]2[O]c3ccc4ccccc4c3C=[N]->2c2c(C(C)C)cc(CN3CCOCC3)cc2C(C)C)c1
#4 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O][Ru+])ccc2ccccc12
#4 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+]1[O]c2ccc3ccccc3c2C=[N]->1c1c(C(C)C)cc(CN2CCOCC2)cc1C(C)C
#5 0.00 ± 0.00
CC(C)c1cc2C[N]3(->[Ru+][O]c4ccc5ccccc5c4C=Nc1c(C(C)C)c2)CCOCC3
#6 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1[N]1[Ru+2][CH]1c1c([O-])ccc2ccccc12
#7 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c2[O][Ru+]<-[cH](c2)c2ccccc12
#8 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c2[O][Ru+]<-[cH]3cccc(cc2)c13
#9 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c2[O][Ru+]<-[cH]3cccc1c3cc2
#10 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)[cH]2->[Ru+][O]c3ccc4ccccc4c3C=Nc1c2C(C)C
#11 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c1C=C[CH]1[Ru+2][CH]21
#12 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])cc[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->5[c]->612)[cH]->73
#13 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-]->[Ru+2])ccc2ccccc12
#14 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c2[O][Ru+]<-[cH]3ccc1c(cc2)c3
#15 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c2[O][Ru+]<-[cH]3ccc(cc2)c1c3
#16 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c1[CH]1[Ru+2][CH]1C=C2
#17 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c1=C[CH]1[Ru+2][CH]1C=2
#18 0.00 ± 0.00
CC(C)c1cc(C[N]2(->[Ru+2])CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2ccccc12
#19 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c1cc[cH]1->[Ru+2]<-[cH]21
#20 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2cc[cH]3->[Ru+2]<-[cH]3c12
#21 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1[N](->[Ru+2])=Cc1c([O-])ccc2ccccc12
#22 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c[cH]3->[Ru+2]<-[cH]3cc12
#23 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])[cH]2->[Ru+2]<-[cH]2c2ccccc12
#24 0.00 ± 0.00
CC(C)c1cc(CN2CC[O](->[Ru+2])CC2)cc(C(C)C)c1N=Cc1c([O-])ccc2ccccc12
#25 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])cc[c]23->[Ru+2]<-[c]12cccc3
#26 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c1[CH]1[CH]3[CH]4[CH]2[Ru+2]143
#27 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c[cH]3->[Ru+]4<-[cH](c12)[cH]->43
#28 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c1c[cH]1->[Ru+]3<-[cH]2[cH]->31
#29 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c1[cH]1->[Ru+2]34<-[cH]2[cH]->3[cH]->41
#30 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])[cH]2->[Ru+2]3<-[cH]4ccc(c2)c1[cH]->34
#31 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])[cH]2->[Ru+2]3<-[cH]4ccc(c1c4)[cH]->32
#32 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])[cH]2->[Ru+2]3<-[cH]4cccc(c14)[cH]->32
#33 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])[cH]2->[Ru+2]3<-[cH]4ccc1c(c2)[cH]->34
#34 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])c[cH]2->[Ru+2]3<-[cH]4ccc2c1[cH]->34
#35 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])[cH]2->[Ru+2]3<-[cH]4ccc1c(c4)[cH]->32
#36 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2ccc[cH](->[Ru+2])c12
#37 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])[cH]2->[Ru+2]3<-[cH]4cc(c2)c1c[cH]->34
#38 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c1ccc[cH]2->[Ru+2]
#39 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)[cH]2->[Ru+2]3<-[cH]4ccc5c(C=Nc1c2C(C)C)c([O-])ccc5[cH]->34
#40 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)[cH]2->[Ru+2]3<-[cH]4c([O-])c(C=Nc1c2C(C)C)c1ccccc1[cH]->34
#41 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)[cH]2->[Ru+2]3<-[cH]4ccc5ccc([O-])c(C=Nc1c2C(C)C)c5[cH]->34
#42 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])c[cH]2->[Ru+2]3<-[cH]4cc1c2c[cH]->34
#43 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2cc[cH](->[Ru+2])cc12
#44 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)[cH]2->[Ru+2]3<-[cH]4cc5ccc([O-])c(C=Nc1c2C(C)C)c5c[cH]->34
#45 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])c[cH](->[Ru+2])c2ccccc12
#46 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2c[cH](->[Ru+2])ccc12
#47 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])[cH](->[Ru+2])cc2ccccc12
#48 0.00 ± 0.00
CC(C)c1cc(CN2CCOCC2)[cH](->[Ru+2])c(C(C)C)c1N=Cc1c([O-])ccc2ccccc12