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Complex #603 — Ru(2) [Ru3S]

GT: {"N": 8} → Top-1: {"O": 3, "N": 9}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
3
Candidates
{"N": 8}
Ground Truth
{"O": 3, "N": 9}
Top-1 Prediction
0.667
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring. For sequential results only top-1 prediction is stored.
#1 TOP-1 0.85 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#1 TOP-1 0.85 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#1 TOP-1 0.85 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#1 TOP-1 0.85 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#1 TOP-1 0.85 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#1 TOP-1 0.85 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#1 TOP-1 0.85 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#1 TOP-1 0.85 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#1 TOP-1 0.85 ± 0.00
CNC1=[O]->[Ru+2]<-[n]2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc21
#2 0.55 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3c(C)cccc3-c3cccc(C)[n]->...
#2 0.55 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3c(C)cccc3-c3cccc(C)[n]->...
#2 0.55 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3c(C)cccc3-c3cccc(C)[n]->...
#2 0.55 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3c(C)cccc3-c3cccc(C)[n]->...
#2 0.55 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3c(C)cccc3-c3cccc(C)[n]->...
#2 0.55 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3c(C)cccc3-c3cccc(C)[n]->...
#2 0.55 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3c(C)cccc3-c3cccc(C)[n]->...
#2 0.55 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3c(C)cccc3-c3cccc(C)[n]->...
#2 0.55 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3c(C)cccc3-c3cccc(C)[n]->...
#3 0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2c(C)cccc2-c2cccc(C)[n]->12
#3 0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2c(C)cccc2-c2cccc(C)[n]->12
#3 0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2c(C)cccc2-c2cccc(C)[n]->12
#3 0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2c(C)cccc2-c2cccc(C)[n]->12
#3 0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2c(C)cccc2-c2cccc(C)[n]->12
#3 0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2c(C)cccc2-c2cccc(C)[n]->12
#3 0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2c(C)cccc2-c2cccc(C)[n]->12
#3 0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2c(C)cccc2-c2cccc(C)[n]->12
#3 0.08 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1<-[n]2c(C)cccc2-c2cccc(C)[n]->12
#4 0.05 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1(<-[n]2c(C)cccc2-c2cccc(C)n2)<-[...
#4 0.05 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1(<-[n]2c(C)cccc2-c2cccc(C)n2)<-[...
#4 0.05 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]1(<-[n]2c(C)cccc2-c2cccc(C)n2)<-[...