home← all results complex #702

Complex #702 — Ru(3) [4]

GT: {"O": 7, "N": 3} → Top-1: {"O": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
25
Candidates
{"O": 7, "N": 3}
Ground Truth
{"O": 1}
Top-1 Prediction
0.100
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.95 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.95 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.95 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.95 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.95 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.95 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.95 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.95 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.95 ± 0.00
[OH][Ru+2]
#2 0.63 ± 0.00
O=N[O][Ru+2]
#2 0.63 ± 0.00
O=N[O][Ru+2]
#2 0.63 ± 0.00
O=N[O][Ru+2]
#2 0.63 ± 0.00
O=N[O][Ru+2]
#2 0.63 ± 0.00
O=N[O][Ru+2]
#2 0.63 ± 0.00
O=N[O][Ru+2]
#2 0.63 ± 0.00
O=N[O][Ru+2]
#2 0.63 ± 0.00
O=N[O][Ru+2]
#2 0.63 ± 0.00
O=N[O][Ru+2]
#3 0.47 ± 0.00
N1[O][Ru+2]<-[O]=1
#3 0.47 ± 0.00
N1[O][Ru+2]<-[O]=1
#3 0.47 ± 0.00
N1[O][Ru+2]<-[O]=1
#3 0.47 ± 0.00
N1[O][Ru+2]<-[O]=1
#3 0.47 ± 0.00
N1[O][Ru+2]<-[O]=1
#3 0.47 ± 0.00
N1[O][Ru+2]<-[O]=1
#3 0.47 ± 0.00
N1[O][Ru+2]<-[O]=1
#3 0.47 ± 0.00
N1[O][Ru+2]<-[O]=1
#3 0.47 ± 0.00
N1[O][Ru+2]<-[O]=1
#4 0.39 ± 0.00
[O-][Ru+2]
#4 0.39 ± 0.00
[O-][Ru+2]
#4 0.39 ± 0.00
[O-][Ru+2]
#4 0.39 ± 0.00
[O-][Ru+2]
#4 0.39 ± 0.00
[O-][Ru+2]
#4 0.39 ± 0.00
[O-][Ru+2]
#4 0.39 ± 0.00
[O-][Ru+2]
#4 0.39 ± 0.00
[O-][Ru+2]
#4 0.39 ± 0.00
[O-][Ru+2]
#5 0.12 ± 0.00
[N]=[O]->[Ru+3]
#5 0.12 ± 0.00
[N]=[O]->[Ru+3]
#5 0.12 ± 0.00
[N]=[O]->[Ru+3]
#5 0.12 ± 0.00
[N]=[O]->[Ru+3]
#5 0.12 ± 0.00
[N]=[O]->[Ru+3]
#5 0.12 ± 0.00
[N]=[O]->[Ru+3]
#5 0.12 ± 0.00
[N]=[O]->[Ru+3]
#5 0.12 ± 0.00
[N]=[O]->[Ru+3]
#5 0.12 ± 0.00
[N]=[O]->[Ru+3]
#6 0.10 ± 0.00
O=N[O][Ru+][O]N=O
#6 0.10 ± 0.00
O=N[O][Ru+][O]N=O
#6 0.10 ± 0.00
O=N[O][Ru+][O]N=O
#6 0.10 ± 0.00
O=N[O][Ru+][O]N=O
#6 0.10 ± 0.00
O=N[O][Ru+][O]N=O
#6 0.10 ± 0.00
O=N[O][Ru+][O]N=O
#6 0.10 ± 0.00
O=N[O][Ru+][O]N=O
#6 0.10 ± 0.00
O=N[O][Ru+][O]N=O
#6 0.10 ± 0.00
O=N[O][Ru+][O]N=O
#7 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1
#7 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1
#7 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1
#7 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1
#7 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1
#7 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1
#7 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1
#7 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1
#7 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1
#8 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1
#8 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1
#8 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1
#8 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1
#8 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1
#8 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1
#8 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1
#8 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1
#8 0.01 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1
#9 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3])c1
#9 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3])c1
#9 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3])c1
#9 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3])c1
#9 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3])c1
#9 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3])c1
#9 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3])c1
#9 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3])c1
#9 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3])c1
#10 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#10 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#10 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#10 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#10 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#10 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#10 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#10 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#10 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#11 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1
#11 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1
#11 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1
#11 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1
#11 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1
#11 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1
#11 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1
#11 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1
#11 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1cccnc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1cccnc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1cccnc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1cccnc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1cccnc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1cccnc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1cccnc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1cccnc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1cccnc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1cccnc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1cccnc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1cccnc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1cccnc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1cccnc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1cccnc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1cccnc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1cccnc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1cccnc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1
#17 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3])c1
#17 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3])c1
#17 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3])c1
#17 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3])c1
#17 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3])c1
#17 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3])c1
#17 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3])c1
#17 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3])c1
#17 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3])c1
#18 0.00 ± 0.00
CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12
#18 0.00 ± 0.00
CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12
#18 0.00 ± 0.00
CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12
#18 0.00 ± 0.00
CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12
#18 0.00 ± 0.00
CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12
#18 0.00 ± 0.00
CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12
#18 0.00 ± 0.00
CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12
#18 0.00 ± 0.00
CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12
#18 0.00 ± 0.00
CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12
#19 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#19 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#19 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#19 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#19 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#19 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#19 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#19 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#19 0.00 ± 0.00
CCOC(=O)c1ccc[n](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#20 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]
#20 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]
#20 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]
#20 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]
#20 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]
#20 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]
#20 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]
#20 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]
#20 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]
#21 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12
#21 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12
#21 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12
#21 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12
#21 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12
#21 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12
#21 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12
#21 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12
#21 0.00 ± 0.00
CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12
#22 0.00 ± 0.00
CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12
#22 0.00 ± 0.00
CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12
#22 0.00 ± 0.00
CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12
#22 0.00 ± 0.00
CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12
#22 0.00 ± 0.00
CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12
#22 0.00 ± 0.00
CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12
#22 0.00 ± 0.00
CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12
#22 0.00 ± 0.00
CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12
#22 0.00 ± 0.00
CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12
#23 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#23 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#23 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#23 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#23 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#23 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#23 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#23 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1
#23 0.00 ± 0.00
CCOC(=O)c1cnc[cH](->[Ru+3]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1