home← all results complex #346

Complex #346 — Ru(2) [Ru(5)]

GT: {"N": 1, "O": 1, "P": 4} → Top-1: {"O": 1, "P": 4}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
73
Candidates
{"N": 1, "O": 1, "P": 4}
Ground Truth
{"O": 1, "P": 4}
Top-1 Prediction
0.970
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.75 ± 0.13
Nc1ccc(C(=O)[O][Ru+])c(O)c1
#1 TOP-1 0.69 ± 0.22
Nc1ccc(C(=O)[O][Ru+]2<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1
#1 TOP-1 0.97 ± 0.06
Nc1ccc(C(=O)[O][Ru+]23(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](CC[P]->3(c2ccccc2)c...
#2 0.31 ± 0.20
O=C1[O][Ru+]<-[NH2]c2ccc1c(O)c2
#2 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]<-[P](CCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1
#2 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2(<-[P](CCP(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)<-[P](CC[P]->2(c2ccccc2)c2ccccc...
#3 0.10 ± 0.08
O=C([O-])c1ccc([NH2]->[Ru+2])cc1O
#3 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234[CH]5C=C(P(CCP(c6ccccc6)c6ccccc6)c6ccccc6)[CH]2[CH]3[CH]54)c(O)c1
#3 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2345(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[CH]2C=CC=C([CH]23)P(CC...
#4 0.09 ± 0.20
Nc1ccc(C2[O][Ru+]<-[O]=2)c(O)c1
#4 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234[CH]5C=CC=C([CH]52)P(CCP(c2ccccc2)c2ccccc2)C2=CC=C[CH]3[CH]24)c(O)c1
#4 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2345(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[CH]2C=C(P(CCP(c6ccccc6...
#5 0.00 ± 0.01
Nc1cc(O)c(C(=O)[O-])[cH]2->[Ru+2]<-[cH]12
#5 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234<-[cH]5cc(P(CCP(c6ccccc6)c6ccccc6)c6ccccc6)[cH]->2[cH]->3[cH]->45)c(O)c1
#5 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2345(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[CH]2C=CC(=C[CH]23)P(CC...
#6 0.00 ± 0.00
Nc1ccc(C(=O)[O-]->[Ru+2])c(O)c1
#6 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2[CH]3C=CC=C(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)[CH]32)c(O)c1
#6 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[CH]2C=CC=C(P(CCP(c4ccccc...
#7 0.00 ± 0.00
Nc1ccc(C(=O)[O-])c([OH]->[Ru+2])c1
#7 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2[CH]3C=CC(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)=C[CH]32)c(O)c1
#7 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2345(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[CH]2C=CC=C([CH]23)P(c2...
#8 0.00 ± 0.00
Nc1ccc(C([O-])=[O]->[Ru+2])c(O)c1
#8 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2<-[cH]3cccc(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)[cH]->23)c(O)c1
#8 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[CH]2C=CC(P(CCP(c4ccccc4)...
#9 0.00 ± 0.00
Nc1ccc(C(=O)[O-])c(O)[cH]1->[Ru+2]
#9 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2<-[cH]3ccc(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)c[cH]->23)c(O)c1
#9 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2345(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[CH]2C=CC(=C[CH]23)P(CC...
#10 0.00 ± 0.00
Nc1cc(O)c(C(=O)[O-])c[cH]1->[Ru+2]
#10 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234[CH]5C=CC(=C[CH]52)P(CCP(c2ccccc2)c2ccccc2)C2=CC=C[CH]3[CH]24)c(O)c1
#10 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23(<-[cH]4cccc(P(CCP(c5ccccc5)c5ccccc5)c5ccccc5)[cH]->24)<-[P](CC[P]->3(c2ccccc2...
#11 0.00 ± 0.00
Nc1cc(O)c(C(=O)[O-])[cH](->[Ru+2])c1
#11 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]<-[cH]2ccccc2P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)c(O)c1
#11 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2345(<-[cH]6cc(P(CCP(c7ccccc7)c7ccccc7)c7ccccc7)[cH]->2[cH]->3[cH]->46)<-[P](CC[...
#12 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234[CH]5C=CC=C([CH]52)P(c2ccccc2)CCP(c2ccccc2)C2=CC=C[CH]3[CH]24)c(O)c1
#12 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru]234(<-[cH]5ccc(P(CCP(c6ccccc6)c6ccccc6)c6ccccc6)[cH]->2[cH]->35)<-[P](CC[P]->4(c2...
#13 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4ccccc4P(CCP(c4ccccc4)c4ccc[cH]->2[cH]->34)c2ccccc2)c(O)c1
#13 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5ccccc5P(CCP(c5ccccc5)c5ccc[cH]->2[cH]->35)c2ccccc2)<-[P](CC[P]->4(c2c...
#14 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4ccccc4P(CCP(c4ccccc4)c4ccccc4)c4ccc[cH]->2[cH]->34)c(O)c1
#14 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5ccccc5P(CCP(c5ccccc5)c5ccccc5)c5ccc[cH]->2[cH]->35)<-[P](CC[P]->4(c2c...
#15 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234[CH]5C=CC(=C[CH]52)P(CCP(c2ccccc2)c2ccccc2)C2=C[CH]3[CH]4C=C2)c(O)c1
#15 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2345(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[CH]2C=CC(=C[CH]23)P(c2...
#16 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru]23<-[cH]4ccc(P(CCP(c5ccccc5)c5ccccc5)c5ccccc5)[cH]->2[cH]->34)c(O)c1
#16 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23(<-[cH]4ccc(P(CCP(c5ccccc5)c5ccccc5)c5ccccc5)c[cH]->24)<-[P](CC[P]->3(c2ccccc2...
#17 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4ccccc4P(CCP(c4ccccc4)c4cc[cH]->2[cH]->3c4)c2ccccc2)c(O)c1
#17 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru]234(<-[cH]5cc(P(CCP(c6ccccc6)c6ccccc6)c6ccccc6)c[cH]->2[cH]->35)<-[P](CC[P]->4(c2...
#18 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4ccccc4P(CCP(c4ccccc4)c4ccccc4)c4cc[cH]->2[cH]->3c4)c(O)c1
#18 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2(<-[cH]3ccccc3P(CCP(c3ccccc3)c3ccccc3)c3ccccc3)<-[P](CC[P]->2(c2ccccc2)c2ccccc2...
#19 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234[CH]5C=CC(=C[CH]52)P(c2ccccc2)CCP(c2ccccc2)C2=CC=C[CH]3[CH]24)c(O)c1
#19 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5ccccc5P(CCP(c5ccccc5)c5cc[cH]->2[cH]->3c5)c2ccccc2)<-[P](CC[P]->4(c2c...
#20 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]<-[cH]2ccc(P(CCP(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c(O)c1
#20 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5ccccc5P(CCP(c5ccccc5)c5ccccc5)c5cc[cH]->2[cH]->3c5)<-[P](CC[P]->4(c2c...
#21 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]<-[cH]2cccc(P(CCP(c3ccccc3)c3ccccc3)c3ccccc3)c2)c(O)c1
#21 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2345(<-[P](CC[P]->2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[CH]2C=CC(=C[CH]23)P(c2...
#22 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234[CH]5C=CC(=C[CH]52)P(c2ccccc2)CCP(c2ccccc2)C2=C[CH]3[CH]4C=C2)c(O)c1
#22 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5ccc(P(CCP(c6ccccc6)c6ccc[cH]->2[cH]->36)c2ccccc2)cc5)<-[P](CC[P]->4(c...
#23 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4cccc(P(CCP(c5ccccc5)c5ccccc5)c5ccc[cH]->2[cH]->35)c4)c(O)c1
#23 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5ccc(P(CCP(c6ccccc6)c6ccccc6)c6ccc[cH]->2[cH]->36)cc5)<-[P](CC[P]->4(c...
#24 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4cccc(P(CCP(c5ccccc5)c5ccc[cH]->2[cH]->35)c2ccccc2)c4)c(O)c1
#24 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5cccc(P(CCP(c6ccccc6)c6ccc[cH]->2[cH]->36)c2ccccc2)c5)<-[P](CC[P]->4(c...
#25 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4ccc(P(CCP(c5ccccc5)c5ccccc5)c5ccc[cH]->2[cH]->35)cc4)c(O)c1
#25 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5cccc(P(CCP(c6ccccc6)c6ccccc6)c6ccc[cH]->2[cH]->36)c5)<-[P](CC[P]->4(c...
#26 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4ccc(P(CCP(c5ccccc5)c5ccc[cH]->2[cH]->35)c2ccccc2)cc4)c(O)c1
#26 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5ccc(P(CCP(c6ccccc6)c6cc[cH]->2[cH]->3c6)c2ccccc2)cc5)<-[P](CC[P]->4(c...
#27 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru]23<-[cH]4cc(P(CCP(c5ccccc5)c5ccccc5)c5ccccc5)c[cH]->2[cH]->34)c(O)c1
#27 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5ccc(P(CCP(c6ccccc6)c6ccccc6)c6cc[cH]->2[cH]->3c6)cc5)<-[P](CC[P]->4(c...
#28 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4cccc(P(CCP(c5ccccc5)c5ccccc5)c5cc[cH]->2[cH]->3c5)c4)c(O)c1
#28 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5cccc(P(CCP(c6ccccc6)c6cc[cH]->2[cH]->3c6)c2ccccc2)c5)<-[P](CC[P]->4(c...
#29 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4cccc(P(CCP(c5ccccc5)c5cc[cH]->2[cH]->3c5)c2ccccc2)c4)c(O)c1
#29 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]234(<-[cH]5cccc(P(CCP(c6ccccc6)c6ccccc6)c6cc[cH]->2[cH]->3c6)c5)<-[P](CC[P]->4(c...
#30 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4ccc(P(CCP(c5ccccc5)c5cc[cH]->2[cH]->3c5)c2ccccc2)cc4)c(O)c1
#30 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2(<-[cH]3ccc(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)cc3)<-[P](CC[P]->2(c2ccccc2)c2cccc...
#31 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]23<-[cH]4ccc(P(CCP(c5ccccc5)c5ccccc5)c5cc[cH]->2[cH]->3c5)cc4)c(O)c1
#31 0.00 ± 0.00
Nc1ccc(C(=O)[O][Ru+]2(<-[cH]3cccc(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)c3)<-[P](CC[P]->2(c2ccccc2)c2cccc...