home← all results complex #297

Complex #297 — Ru(2) [Ru1]

GT: {"O": 1, "N": 1, "P": 1} → Top-1: {"P": 1, "N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
79
Candidates
{"O": 1, "N": 1, "P": 1}
Ground Truth
{"P": 1, "N": 1}
Top-1 Prediction
0.650
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.65 ± 0.04
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1[N]1=Cc2ccccc2[P](->[Ru+2]<-1)(c1ccccc1)c1ccccc1
#1 TOP-1 0.03 ± 0.04
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1[N]1=Cc2ccccc2[P](c2ccccc2)(c2ccccc2)->[Ru+2]<-123456<-[cH]1[cH]-...
#2 0.58 ± 0.19
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1[N]1[CH]2c3ccccc3[P](c3ccccc3)(c3ccccc3)->[Ru+2]21
#2 0.01 ± 0.01
Cc1ccc(C(C)C)[cH]2->[Ru+2]3(<-[cH]12)<-[N](=Cc1ccccc1[P]->3(c1ccccc1)c1ccccc1)c1c(C(C)C)cc(S(=O)(=O)...
#3 0.03 ± 0.05
CC(C)c1cc2S3(=O)[O][Ru+](<-[O]=3)<-[P](c3ccccc3)(c3ccccc3)c3ccccc3C=Nc1c(C(C)C)c2
#3 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[N](=Cc3ccccc3[P]->2(c2ccccc2)c2ccccc2)c2c(C(C)C)cc(S(=O)(=O)[O-])cc2C(...
#4 0.00 ± 0.00
CC(C)c1cc2S(=O)(=O)[O][Ru+]<-[P](c3ccccc3)(c3ccccc3)c3ccccc3C=Nc1c(C(C)C)c2
#4 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[N](=Cc2ccccc2[P]->1(c1ccccc1)c1ccccc1)c1c(C(C)C)cc(S(=O)(=O)[O-])cc1C...
#5 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1[P](->[Ru+2])(c1ccccc1)c1ccccc1
#6 0.00 ± 0.00
CC(C)c1cc2S(=O)(=O)[O-]->[Ru+2]<-[P](c3ccccc3)(c3ccccc3)c3ccccc3C=Nc1c(C(C)C)c2
#7 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O][Ru+])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1
#8 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1[N]1[Ru+2][CH]1c1ccccc1P(c1ccccc1)c1ccccc1
#9 0.00 ± 0.00
CC(C)c1cc(S2(=O)[O][Ru+]<-[O]=2)cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1
#10 0.00 ± 0.00
CC(C)c1cc2S(=O)([O-])=[O]->[Ru+2]<-[N](=Cc3ccccc3P(c3ccccc3)c3ccccc3)c1c(C(C)C)c2
#11 0.00 ± 0.00
CC(C)c1cc2S(=O)([O-])=[O]->[Ru+2]<-[P](c3ccccc3)(c3ccccc3)c3ccccc3C=Nc1c(C(C)C)c2
#12 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1[N]1=Cc2c(P(c3ccccc3)c3ccccc3)ccc[cH]2->[Ru+2]<-1
#13 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-]->[Ru+2])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1
#14 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1[N](->[Ru+2])=Cc1ccccc1P(c1ccccc1)c1ccccc1
#15 0.00 ± 0.00
CC(C)c1cc(S(=O)([O-])=[O]->[Ru+2])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1
#16 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c(P(c2ccccc2)c2ccccc2)cc[cH]2->[Ru+2]<-[cH]12
#17 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c(P(c2ccccc2)c2ccccc2)c[cH]2->[Ru+]3<-[cH]1[cH]->32
#18 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=CC1=C(P(c2ccccc2)c2ccccc2)C=C[CH]2[Ru+2][CH]12
#19 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1cc[cH]2->[Ru+2]<-[cH]2c1P(c1ccccc1)c1ccccc1
#20 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c[cH]2->[Ru+2]<-[cH]2cc1P(c1ccccc1)c1ccccc1
#21 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1cc[cH]2->[Ru+2]<-[cH]2c1
#22 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccc[cH]2->[Ru+2]<-[cH]12
#23 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c(P(c2ccccc2)c2ccccc2)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42
#24 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32
#25 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=CC1=C(P(c2ccccc2)c2ccccc2)[CH]2[Ru+2][CH]2C=C1
#26 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1cc[cH]2->[Ru+]3<-[cH]1[cH]->32
#27 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(C1=CC=C[CH]2[Ru+2][CH]12)c1ccccc1
#28 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(C1=C[CH]2[Ru+2][CH]2C=C1)c1ccccc1
#29 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c[cH]2->[Ru+]3<-[cH](c1P(c1ccccc1)c1ccccc1)[cH]->32
#30 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42
#31 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c2P(c3ccccc3)c3cccc[cH]3->[Ru+2]3<-[cH](cc2)[cH]->31
#32 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1cc[cH]2->[Ru+2]3<-[cH]4ccccc4P(c4ccccc4)c1[cH]->32
#33 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])[cH]2->[Ru+2]3<-[cH]4ccc(C=Nc1c2C(C)C)c(P(c1ccccc1)c1ccccc1)[cH]->34
#34 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1cc[cH]2->[Ru+2]3<-[cH]4cccc(P(c5ccccc5)c1[cH]->32)c4
#35 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c2P(c3ccccc3)c3ccc[cH](->[Ru+2]4<-[cH](cc2)[cH]->41)c3
#36 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c2P(c3ccccc3)c3ccc[cH]4->[Ru+2](<-[cH]1ccc2)<-[cH]34
#37 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c2P(c3ccccc3)c3cc[cH]4->[Ru+2](<-[cH]1ccc2)<-[cH]4c3
#38 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])[cH]2->[Ru+2]3<-[cH]4ccc(P(c5ccccc5)c5ccccc5)c(C=Nc1c2C(C)C)[cH]->34
#39 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c(P(c2ccccc2)c2ccccc2)ccc[cH]1->[Ru+2]
#40 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccc[cH]2->[Ru+2]3<-[cH]4cccc(P(c5ccccc5)c12)[cH]->34
#41 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])[cH]2->[Ru+2]3<-[cH]4cc(C=Nc1c2C(C)C)c(P(c1ccccc1)c1ccccc1)c[cH]->34
#42 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1cccc[cH]1->[Ru+2]
#43 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P1c2cccc[cH]2->[Ru+2]2<-[cH]3cccc1[cH]->23
#44 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1cc[cH]2->[Ru+2]3<-[cH]4ccc(P(c5ccccc5)c1[cH]->32)cc4
#45 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1cc[cH]2->[Ru+2]3<-[cH]4cccc(P(c5ccccc5)c1c2)[cH]->34
#46 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccc[cH]2->[Ru+2]3<-[cH]4ccc(P(c5ccccc5)c12)c[cH]->34
#47 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccc[cH](->[Ru+2])c1P(c1ccccc1)c1ccccc1
#48 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c[cH]2->[Ru+2]3<-[cH]4ccccc4P(c4ccccc4)c1c[cH]->32
#49 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1cc[cH]2->[Ru+2]3<-[cH]4ccc(P(c5ccccc5)c1c2)c[cH]->34
#50 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c[cH]2->[Ru+2]3<-[cH]4cccc(P(c5ccccc5)c1c[cH]->32)c4
#51 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])[cH]2->[Ru+2]3<-[cH]4cccc(P(c5ccccc5)c5ccccc5C=Nc1c2C(C)C)[cH]->34
#52 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c2P(c3ccccc3)c3cc[cH](->[Ru+2]4<-[cH](cc2)[cH]->41)cc3
#53 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])[cH]2->[Ru+2]3<-[cH]4ccc(P(c5ccccc5)c5ccccc5C=Nc1c2C(C)C)c[cH]->34
#54 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P1c2ccc[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)c2
#55 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P1c2cc[cH]3->[Ru+2](<-[cH]4ccccc41)<-[cH]3c2
#56 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=CC1=C(P(c2ccccc2)c2ccccc2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243
#57 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1cc[cH](->[Ru+2])cc1P(c1ccccc1)c1ccccc1
#58 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P1c2ccc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)c2
#59 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c[cH]2->[Ru+2]3<-[cH]4ccc(P(c5ccccc5)c1c[cH]->32)cc4
#60 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234)c1ccccc1
#61 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1cc[cH](->[Ru+2])cc1
#62 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P1c2cc[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)cc2
#63 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c[cH](->[Ru+2])ccc1P(c1ccccc1)c1ccccc1
#64 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c[cH]2->[Ru+2]3<-[cH]4cccc(P(c5ccccc5)c1cc2)[cH]->34
#65 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P1c2cc[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)cc2
#66 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccc[cH](->[Ru+2])c1
#67 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])[cH](->[Ru+2])c(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1
#68 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1c[cH]2->[Ru+2]3<-[cH]4ccc(P(c5ccccc5)c1cc2)c[cH]->34
#69 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=CC1=C2[CH]3[CH](C=C1)[Ru+2]31[CH]3C=CC=C([CH]31)P2c1ccccc1
#70 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=CC1=C2[CH]3[CH](C=C1)[Ru+2]31[CH]3C=CC(=C[CH]31)P2c1ccccc1
#71 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=CC1=C2C=C[CH]3[CH]1[Ru+2]31[CH]3C=CC=C([CH]31)P2c1ccccc1
#72 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=CC1=C2C=C[CH]3[CH]1[Ru+2]31[CH]3C=CC(=C[CH]31)P2c1ccccc1
#73 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P1C2=CC=C[CH]3[CH]2[Ru+2]32[CH]3C=CC=C1[CH]32
#74 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P1C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC=C1[CH]32
#75 0.00 ± 0.00
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P1C2=C[CH]3[CH](C=C2)[Ru+2]32[CH]3C=CC1=C[CH]32