home← all results complex #347

Complex #347 — Ru(2) [Ru(6)]

GT: {"O": 1, "P": 4} → Top-1: {"O": 1, "P": 4}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
73
Candidates
{"O": 1, "P": 4}
Ground Truth
{"O": 1, "P": 4}
Top-1 Prediction
0.980
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.84 ± 0.10
O=C([O][Ru+])c1ccc(O)cc1O
#1 TOP-1 0.82 ± 0.10
O=C([O][Ru+]1<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O
#1 TOP-1 0.98 ± 0.05
O=C([O][Ru+]12(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)<-[P](CC[P]->2(c1ccccc1)c1ccccc1)...
#2 0.07 ± 0.14
Oc1ccc(C2[O][Ru+]<-[O]=2)c(O)c1
#2 0.00 ± 0.00
O=C([O][Ru+]<-[P](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O
#2 0.00 ± 0.01
O=C([O][Ru+]1(<-[P](CCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccc...
#3 0.00 ± 0.00
O=C([O-])c1ccc([OH]->[Ru+2])cc1O
#3 0.00 ± 0.00
O=C([O][Ru+]123[CH]4C=C(P(CCP(c5ccccc5)c5ccccc5)c5ccccc5)[CH]1[CH]2[CH]43)c1ccc(O)cc1O
#3 0.00 ± 0.00
O=C([O][Ru+]1234(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC=C([CH]12)P(CCP(c1cccc...
#4 0.00 ± 0.00
O=C([O-])c1ccc2[OH]->[Ru+2]<-[OH]c1c2
#4 0.00 ± 0.00
O=C([O][Ru+]123[CH]4C=CC=C([CH]41)P(CCP(c1ccccc1)c1ccccc1)C1=CC=C[CH]2[CH]13)c1ccc(O)cc1O
#4 0.00 ± 0.00
O=C([O][Ru+]1234(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=C(P(CCP(c5ccccc5)c5ccccc...
#5 0.00 ± 0.00
O=C([O-]->[Ru+2])c1ccc(O)cc1O
#5 0.00 ± 0.00
O=C([O][Ru+]123<-[cH]4cc(P(CCP(c5ccccc5)c5ccccc5)c5ccccc5)[cH]->1[cH]->2[cH]->34)c1ccc(O)cc1O
#5 0.00 ± 0.00
O=C([O][Ru+]12(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC=C(P(CCP(c3ccccc3)c3cccc...
#6 0.00 ± 0.00
O=C([O-])c1ccc(O)cc1[OH]->[Ru+2]
#6 0.00 ± 0.00
O=C([O][Ru+]1[CH]2C=CC=C(P(CCP(c3ccccc3)c3ccccc3)c3ccccc3)[CH]21)c1ccc(O)cc1O
#6 0.00 ± 0.00
O=C([O][Ru+]1234(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC(=C[CH]12)P(CCP(c1cccc...
#7 0.00 ± 0.00
O=C([O-])c1c(O)cc(O)[cH]2->[Ru+2]<-[cH]12
#7 0.00 ± 0.00
O=C([O][Ru+]1<-[cH]2cccc(P(CCP(c3ccccc3)c3ccccc3)c3ccccc3)[cH]->12)c1ccc(O)cc1O
#7 0.00 ± 0.00
O=C([O][Ru+]12(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC(P(CCP(c3ccccc3)c3ccccc3...
#8 0.00 ± 0.00
[O-]C(=[O]->[Ru+2])c1ccc(O)cc1O
#8 0.00 ± 0.00
O=C([O][Ru+]1[CH]2C=CC(P(CCP(c3ccccc3)c3ccccc3)c3ccccc3)=C[CH]21)c1ccc(O)cc1O
#8 0.00 ± 0.00
O=C([O][Ru+]12(<-[cH]3cccc(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)[cH]->13)<-[P](CC[P]->2(c1ccccc1)c1ccccc...
#9 0.00 ± 0.00
O=C([O-])c1ccc(O)[cH](->[Ru+2])c1O
#9 0.00 ± 0.00
O=C([O][Ru+]123[CH]4C=CC(=C[CH]41)P(CCP(c1ccccc1)c1ccccc1)C1=CC=C[CH]2[CH]13)c1ccc(O)cc1O
#9 0.00 ± 0.00
O=C([O][Ru+]1234(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC=C([CH]12)P(c1ccccc1)C...
#10 0.00 ± 0.00
O=C([O-])c1c[cH](->[Ru+2])c(O)cc1O
#10 0.00 ± 0.00
O=C([O][Ru+]1<-[cH]2ccc(P(CCP(c3ccccc3)c3ccccc3)c3ccccc3)c[cH]->12)c1ccc(O)cc1O
#10 0.00 ± 0.00
O=C([O][Ru+]1234(<-[cH]5cc(P(CCP(c6ccccc6)c6ccccc6)c6ccccc6)[cH]->1[cH]->2[cH]->35)<-[P](CC[P]->4(c1...
#11 0.00 ± 0.00
O=C([O-])c1c(O)cc(O)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
O=C([O][Ru+]<-[cH]1ccccc1P(CCP(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(O)cc1O
#11 0.00 ± 0.00
O=C([O][Ru+]1234(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC(=C[CH]12)P(CCP(c1cccc...
#12 0.00 ± 0.00
O=C([O][Ru+]123[CH]4C=CC=C([CH]41)P(c1ccccc1)CCP(c1ccccc1)C1=CC=C[CH]2[CH]13)c1ccc(O)cc1O
#12 0.00 ± 0.00
O=C([O][Ru]123(<-[cH]4ccc(P(CCP(c5ccccc5)c5ccccc5)c5ccccc5)[cH]->1[cH]->24)<-[P](CC[P]->3(c1ccccc1)c...
#13 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3ccccc3P(CCP(c3ccccc3)c3ccc[cH]->1[cH]->23)c1ccccc1)c1ccc(O)cc1O
#13 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4ccccc4P(CCP(c4ccccc4)c4ccccc4)c4ccc[cH]->1[cH]->24)<-[P](CC[P]->3(c1ccccc1)c1...
#14 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3ccccc3P(CCP(c3ccccc3)c3ccccc3)c3ccc[cH]->1[cH]->23)c1ccc(O)cc1O
#14 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4ccccc4P(CCP(c4ccccc4)c4ccc[cH]->1[cH]->24)c1ccccc1)<-[P](CC[P]->3(c1ccccc1)c1...
#15 0.00 ± 0.00
O=C([O][Ru+]123[CH]4C=CC(=C[CH]41)P(CCP(c1ccccc1)c1ccccc1)C1=C[CH]2[CH]3C=C1)c1ccc(O)cc1O
#15 0.00 ± 0.00
O=C([O][Ru+]12(<-[cH]3ccc(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)c[cH]->13)<-[P](CC[P]->2(c1ccccc1)c1ccccc...
#16 0.00 ± 0.00
O=C([O][Ru]12<-[cH]3ccc(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)[cH]->1[cH]->23)c1ccc(O)cc1O
#16 0.00 ± 0.00
O=C([O][Ru+]1234(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC(=C[CH]12)P(c1ccccc1)C...
#17 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3ccccc3P(CCP(c3ccccc3)c3cc[cH]->1[cH]->2c3)c1ccccc1)c1ccc(O)cc1O
#17 0.00 ± 0.00
O=C([O][Ru]123(<-[cH]4cc(P(CCP(c5ccccc5)c5ccccc5)c5ccccc5)c[cH]->1[cH]->24)<-[P](CC[P]->3(c1ccccc1)c...
#18 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3ccccc3P(CCP(c3ccccc3)c3ccccc3)c3cc[cH]->1[cH]->2c3)c1ccc(O)cc1O
#18 0.00 ± 0.00
O=C([O][Ru+]1(<-[cH]2ccccc2P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1cccc...
#19 0.00 ± 0.00
O=C([O][Ru+]123[CH]4C=CC(=C[CH]41)P(c1ccccc1)CCP(c1ccccc1)C1=CC=C[CH]2[CH]13)c1ccc(O)cc1O
#19 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4ccccc4P(CCP(c4ccccc4)c4cc[cH]->1[cH]->2c4)c1ccccc1)<-[P](CC[P]->3(c1ccccc1)c1...
#20 0.00 ± 0.00
O=C([O][Ru+]<-[cH]1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(O)cc1O
#20 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4ccccc4P(CCP(c4ccccc4)c4ccccc4)c4cc[cH]->1[cH]->2c4)<-[P](CC[P]->3(c1ccccc1)c1...
#21 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3cccc(P(CCP(c4ccccc4)c4ccccc4)c4ccc[cH]->1[cH]->24)c3)c1ccc(O)cc1O
#21 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4cccc(P(CCP(c5ccccc5)c5ccc[cH]->1[cH]->25)c1ccccc1)c4)<-[P](CC[P]->3(c1ccccc1)...
#22 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3cccc(P(CCP(c4ccccc4)c4ccc[cH]->1[cH]->24)c1ccccc1)c3)c1ccc(O)cc1O
#22 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4ccc(P(CCP(c5ccccc5)c5ccc[cH]->1[cH]->25)c1ccccc1)cc4)<-[P](CC[P]->3(c1ccccc1)...
#23 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3ccc(P(CCP(c4ccccc4)c4ccccc4)c4ccc[cH]->1[cH]->24)cc3)c1ccc(O)cc1O
#23 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4ccc(P(CCP(c5ccccc5)c5ccccc5)c5ccc[cH]->1[cH]->25)cc4)<-[P](CC[P]->3(c1ccccc1)...
#24 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3ccc(P(CCP(c4ccccc4)c4ccc[cH]->1[cH]->24)c1ccccc1)cc3)c1ccc(O)cc1O
#24 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4cccc(P(CCP(c5ccccc5)c5ccccc5)c5ccc[cH]->1[cH]->25)c4)<-[P](CC[P]->3(c1ccccc1)...
#25 0.00 ± 0.00
O=C([O][Ru+]123[CH]4C=CC(=C[CH]41)P(c1ccccc1)CCP(c1ccccc1)C1=C[CH]2[CH]3C=C1)c1ccc(O)cc1O
#25 0.00 ± 0.00
O=C([O][Ru+]1234(<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC(=C[CH]12)P(c1ccccc1)C...
#26 0.00 ± 0.00
O=C([O][Ru+]<-[cH]1cccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)c1)c1ccc(O)cc1O
#26 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4ccc(P(CCP(c5ccccc5)c5cc[cH]->1[cH]->2c5)c1ccccc1)cc4)<-[P](CC[P]->3(c1ccccc1)...
#27 0.00 ± 0.00
O=C([O][Ru]12<-[cH]3cc(P(CCP(c4ccccc4)c4ccccc4)c4ccccc4)c[cH]->1[cH]->23)c1ccc(O)cc1O
#27 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4ccc(P(CCP(c5ccccc5)c5ccccc5)c5cc[cH]->1[cH]->2c5)cc4)<-[P](CC[P]->3(c1ccccc1)...
#28 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3cccc(P(CCP(c4ccccc4)c4ccccc4)c4cc[cH]->1[cH]->2c4)c3)c1ccc(O)cc1O
#28 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4cccc(P(CCP(c5ccccc5)c5cc[cH]->1[cH]->2c5)c1ccccc1)c4)<-[P](CC[P]->3(c1ccccc1)...
#29 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3cccc(P(CCP(c4ccccc4)c4cc[cH]->1[cH]->2c4)c1ccccc1)c3)c1ccc(O)cc1O
#29 0.00 ± 0.00
O=C([O][Ru+]123(<-[cH]4cccc(P(CCP(c5ccccc5)c5ccccc5)c5cc[cH]->1[cH]->2c5)c4)<-[P](CC[P]->3(c1ccccc1)...
#30 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3ccc(P(CCP(c4ccccc4)c4ccccc4)c4cc[cH]->1[cH]->2c4)cc3)c1ccc(O)cc1O
#30 0.00 ± 0.00
O=C([O][Ru+]1(<-[cH]2ccc(P(CCP(c3ccccc3)c3ccccc3)c3ccccc3)cc2)<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1cc...
#31 0.00 ± 0.00
O=C([O][Ru+]12<-[cH]3ccc(P(CCP(c4ccccc4)c4cc[cH]->1[cH]->2c4)c1ccccc1)cc3)c1ccc(O)cc1O
#31 0.00 ± 0.00
O=C([O][Ru+]1(<-[cH]2cccc(P(CCP(c3ccccc3)c3ccccc3)c3ccccc3)c2)<-[P](CC[P]->1(c1ccccc1)c1ccccc1)(c1cc...