home← all results complex #147

Complex #147 — Ru(2) [1]

GT: {"O": 1, "P": 4} → Top-1: {"O": 2, "P": 4}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
88
Candidates
{"O": 1, "P": 4}
Ground Truth
{"O": 2, "P": 4}
Top-1 Prediction
0.620
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.17 ± 0.07
CC(C)=CCC1=C2[O][Ru+]<-[O]=C2c2ccccc2C1=O
#1 TOP-1 0.47 ± 0.36
CC(C)=CCC1=C2[O][Ru+]3(<-[O]=C2c2ccccc2C1=O)<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#1 TOP-1 0.62 ± 0.44
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)<-[...
#2 0.03 ± 0.03
CC(C)=CCC1=C2[O][Ru+]<-[O]=C1c1ccccc1C2=O
#2 0.07 ± 0.08
CC(C)=CCC1=C2[O][Ru+](<-[O]=C2c2ccccc2C1=O)<-[P](CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#2 0.29 ± 0.43
CC(C)=CCC1=C2[O][Ru+]3(<-[O]=C2c2ccccc2C1=O)(<-[P](CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)<-[P](C[P...
#3 0.01 ± 0.01
CC(C)=CCC1=C([O][Ru+])C(=O)c2ccccc2C1=O
#3 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)[CH]1C=C(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)[CH]3[CH]4[CH...
#3 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3456(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[...
#4 0.00 ± 0.00
CC(C)=CCC1=C2[O-]->[Ru+2]<-[O]=C1c1ccccc1C2=O
#4 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)[CH]1C=CC=C([CH]13)P(CP(c1ccccc1)c1ccccc1)C1=CC=C[CH]4...
#4 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3456(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[...
#5 0.00 ± 0.00
C[C]1(C)[Ru+2][CH]1CC1=C([O-])C(=O)c2ccccc2C1=O
#5 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)[CH]1C=CC(=C[CH]13)P(CP(c1ccccc1)c1ccccc1)C1=CC=C[CH]4...
#5 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3456(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[...
#6 0.00 ± 0.00
CC(C)=CCC1=C([O-])C2=[O]->[Ru+2]<-[O]=C1c1ccccc12
#6 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)[CH]1C=CC=C([CH]13)P(c1ccccc1)CP(c1ccccc1)C1=CC=C[CH]4...
#6 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3456(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[...
#7 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->5[c]->62C1=O)[cH]->73
#7 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)<-[cH]1cc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)[cH]->3[cH]-...
#7 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3456(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[...
#8 0.00 ± 0.00
CC(C)=CCC1=C([O-]->[Ru+2])C(=O)c2ccccc2C1=O
#8 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3(<-[O]=C2c2ccccc2C1=O)[CH]1C=CC=C(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)[CH]13
#8 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3456(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[...
#9 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=[O]->[Ru+2]
#9 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)[CH]1C=CC(=C[CH]13)P(CP(c1ccccc1)c1ccccc1)C1=C[CH]4[CH...
#9 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3456(<-[O]=C2c2ccccc2C1=O)(<-[cH]1cc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)[cH]->3[cH...
#10 0.00 ± 0.00
CC(C)=CCC1=C([O-])[C]2([O][Ru+2]2)c2ccccc2C1=O
#10 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)[CH]1C=CC(=C[CH]13)P(c1ccccc1)CP(c1ccccc1)C1=CC=C[CH]4...
#10 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3456(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[...
#11 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2ccccc2[C]12[O][Ru+2]2
#11 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3(<-[O]=C2c2ccccc2C1=O)[CH]1C=CC(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)=C[CH]13
#11 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH...
#12 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=[O]->[Ru+2])c2ccccc2C1=O
#12 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3(<-[O]=C2c2ccccc2C1=O)<-[cH]1cccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)[cH]->31
#12 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)(<-[P](C[P]->3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH...
#13 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)C2=C(C1=O)[CH]1[Ru+2][CH]1C=C2
#13 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)[CH]1C=CC(=C[CH]13)P(c1ccccc1)CP(c1ccccc1)C1=C[CH]4[CH...
#13 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)(<-[cH]1cccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)[cH]->31)<...
#14 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)C2=C(C=C[CH]3[Ru+2][CH]23)C1=O
#14 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)c[cH]->31
#14 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccccc1P(CP(c1ccccc1)c1ccccc1)c1ccc[cH]->3[cH]-...
#15 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2cc[cH]3->[Ru+2]<-[cH]3c2C1=O
#15 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+](<-[O]=C2c2ccccc2C1=O)<-[cH]1ccccc1P(CP(c1ccccc1)c1ccccc1)c1ccccc1
#15 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccccc1P(CP(c1ccccc1)c1ccc[cH]->3[cH]->41)c1ccc...
#16 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2c(cc[cH]3->[Ru+2]<-[cH]23)C1=O
#16 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccccc1P(CP(c1ccccc1)c1ccc[cH]->3[cH]->41)c1ccccc...
#16 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccccc1P(CP(c1ccccc1)c1cc[cH]->3[cH]->4c1)c1ccc...
#17 0.00 ± 0.00
CC(C)=[CH](->[Ru+2])CC1=C([O-])C(=O)c2ccccc2C1=O
#17 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccccc1P(CP(c1ccccc1)c1ccccc1)c1ccc[cH]->3[cH]->4...
#17 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccccc1P(CP(c1ccccc1)c1ccccc1)c1cc[cH]->3[cH]->...
#18 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2c(c[cH]3->[Ru+]4<-[cH]2[cH]->43)C1=O
#18 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)[cH]->3[cH]->...
#18 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)[cH]->3[cH]...
#19 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2c([cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)C1=O
#19 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccccc1P(CP(c1ccccc1)c1cc[cH]->3[cH]->4c1)c1ccccc...
#19 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)c[cH]->31)<...
#20 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2c[cH]3->[Ru+]4<-[cH](c2C1=O)[cH]->43
#20 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+](<-[O]=C2c2ccccc2C1=O)<-[cH]1cccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)c1
#20 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccc[cH]->3[cH]->4...
#21 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2c[cH]3->[Ru+2]<-[cH]3cc2C1=O
#21 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccccc1P(CP(c1ccccc1)c1ccccc1)c1cc[cH]->3[cH]->4c...
#21 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccc(P(CP(c2ccccc2)c2ccc[cH]->3[cH]->42)c2ccccc...
#22 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)C2=C(C1=O)[CH]1[CH]3[CH]4[CH]2[Ru+2]143
#22 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+](<-[O]=C2c2ccccc2C1=O)<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
#22 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1cc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)c[cH]->3[cH]...
#23 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2ccc[cH](->[Ru+2])c2C1=O
#23 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1cccc(P(CP(c2ccccc2)c2ccc[cH]->3[cH]->42)c2ccccc2...
#23 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccc(P(CP(c2ccccc2)c2cc[cH]->3[cH]->4c2)c2ccccc...
#24 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2c(ccc[cH]2->[Ru+2])C1=O
#24 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1cccc(P(CP(c2ccccc2)c2ccccc2)c2ccc[cH]->3[cH]->42...
#24 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2cc[cH]->3[cH]->4c...
#25 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2c[cH](->[Ru+2])ccc2C1=O
#25 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1cccc(P(CP(c2ccccc2)c2cc[cH]->3[cH]->4c2)c2ccccc2...
#25 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1cccc(P(CP(c2ccccc2)c2ccc[cH]->3[cH]->42)c2cccc...
#26 0.00 ± 0.00
CC(C)=CCC1=C([O-])C(=O)c2cc[cH](->[Ru+2])cc2C1=O
#26 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1cccc(P(CP(c2ccccc2)c2ccccc2)c2cc[cH]->3[cH]->4c2...
#26 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1cccc(P(CP(c2ccccc2)c2ccccc2)c2ccc[cH]->3[cH]->...
#27 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccc[cH]->3[cH]->42)...
#27 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1cccc(P(CP(c2ccccc2)c2cc[cH]->3[cH]->4c2)c2cccc...
#28 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccc(P(CP(c2ccccc2)c2ccc[cH]->3[cH]->42)c2ccccc2)...
#28 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]345(<-[O]=C2c2ccccc2C1=O)(<-[cH]1cccc(P(CP(c2ccccc2)c2ccccc2)c2cc[cH]->3[cH]->4...
#29 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1cc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)c[cH]->3[cH]->...
#29 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccccc1P(CP(c1ccccc1)c1ccccc1)c1ccccc1)<-[P](C[P]...
#30 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2cc[cH]->3[cH]->4c2)...
#30 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3(<-[O]=C2c2ccccc2C1=O)(<-[cH]1cccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)c1)<-[P](C[...
#31 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]34(<-[O]=C2c2ccccc2C1=O)<-[cH]1ccc(P(CP(c2ccccc2)c2cc[cH]->3[cH]->4c2)c2ccccc2)...
#31 0.00 ± 0.00
CC(C)=CCC1=C2[O][Ru+]3(<-[O]=C2c2ccccc2C1=O)(<-[cH]1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1)<-[P](C[...