home← all results complex #567

Complex #567 — Ru(2) [S1]

GT: {"O": 1, "S": 2, "N": 1} → Top-1: {"O": 1, "S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
18
Candidates
{"O": 1, "S": 2, "N": 1}
Ground Truth
{"O": 1, "S": 1}
Top-1 Prediction
0.500
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.94 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#1 TOP-1 0.94 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#1 TOP-1 0.94 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#1 TOP-1 0.94 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#1 TOP-1 0.94 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#1 TOP-1 0.94 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#1 TOP-1 0.94 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#1 TOP-1 0.94 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#1 TOP-1 0.94 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#2 0.87 ± 0.00
NC(N)=[S]->[Ru+2]
#2 0.87 ± 0.00
NC(N)=[S]->[Ru+2]
#2 0.87 ± 0.00
NC(N)=[S]->[Ru+2]
#2 0.87 ± 0.00
NC(N)=[S]->[Ru+2]
#2 0.87 ± 0.00
NC(N)=[S]->[Ru+2]
#2 0.87 ± 0.00
NC(N)=[S]->[Ru+2]
#2 0.87 ± 0.00
NC(N)=[S]->[Ru+2]
#2 0.87 ± 0.00
NC(N)=[S]->[Ru+2]
#2 0.87 ± 0.00
NC(N)=[S]->[Ru+2]
#3 0.27 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.27 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.27 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.27 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.27 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.27 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.27 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.27 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.27 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#4 0.08 ± 0.00
Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C
#4 0.08 ± 0.00
Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C
#4 0.08 ± 0.00
Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C
#4 0.08 ± 0.00
Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C
#4 0.08 ± 0.00
Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C
#4 0.08 ± 0.00
Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C
#4 0.08 ± 0.00
Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C
#4 0.08 ± 0.00
Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C
#4 0.08 ± 0.00
Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C
#5 0.04 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.04 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.04 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.04 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.04 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.04 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.04 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.04 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.04 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#6 0.01 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#6 0.01 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#6 0.01 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#6 0.01 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#6 0.01 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#6 0.01 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#6 0.01 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#6 0.01 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#6 0.01 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#7 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#7 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#7 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#7 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#7 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#7 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#7 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#7 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#7 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#8 0.00 ± 0.00
NC(=S)[NH2]->[Ru+2]
#8 0.00 ± 0.00
NC(=S)[NH2]->[Ru+2]
#8 0.00 ± 0.00
NC(=S)[NH2]->[Ru+2]
#8 0.00 ± 0.00
NC(=S)[NH2]->[Ru+2]
#8 0.00 ± 0.00
NC(=S)[NH2]->[Ru+2]
#8 0.00 ± 0.00
NC(=S)[NH2]->[Ru+2]
#8 0.00 ± 0.00
NC(=S)[NH2]->[Ru+2]
#8 0.00 ± 0.00
NC(=S)[NH2]->[Ru+2]
#8 0.00 ± 0.00
NC(=S)[NH2]->[Ru+2]
#9 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#9 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#9 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#9 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#9 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#9 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#9 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#9 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#9 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#12 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#12 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#12 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#12 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#12 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#12 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#12 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#12 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#12 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#14 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#14 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#14 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#14 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#14 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#14 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#14 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#14 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#14 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#16 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#16 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#16 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#16 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#16 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#16 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#16 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#16 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#16 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C