home← all results complex #447

Complex #447 — Ru(2) [1,1 a]

GT: {"O": 1, "S": 1} → Top-1: {"O": 1, "S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
29
Candidates
{"O": 1, "S": 1}
Ground Truth
{"O": 1, "S": 1}
Top-1 Prediction
1.000
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.99 ± 0.00
c1ccn2[O][Ru+]<-[S]=c2c1
#1 TOP-1 0.99 ± 0.00
c1ccn2[O][Ru+]<-[S]=c2c1
#1 TOP-1 0.99 ± 0.00
c1ccn2[O][Ru+]<-[S]=c2c1
#1 TOP-1 0.99 ± 0.00
c1ccn2[O][Ru+]<-[S]=c2c1
#1 TOP-1 0.99 ± 0.00
c1ccn2[O][Ru+]<-[S]=c2c1
#1 TOP-1 0.99 ± 0.00
c1ccn2[O][Ru+]<-[S]=c2c1
#1 TOP-1 0.99 ± 0.00
c1ccn2[O][Ru+]<-[S]=c2c1
#1 TOP-1 0.99 ± 0.00
c1ccn2[O][Ru+]<-[S]=c2c1
#1 TOP-1 0.99 ± 0.00
c1ccn2[O][Ru+]<-[S]=c2c1
#2 0.36 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#2 0.36 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#2 0.36 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#2 0.36 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#2 0.36 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#2 0.36 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#2 0.36 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#2 0.36 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#2 0.36 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.07 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#3 0.07 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#3 0.07 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#3 0.07 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#3 0.07 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#3 0.07 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#3 0.07 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#3 0.07 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#3 0.07 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#4 0.01 ± 0.00
S=c1ccccn1[O][Ru+]
#4 0.01 ± 0.00
S=c1ccccn1[O][Ru+]
#4 0.01 ± 0.00
S=c1ccccn1[O][Ru+]
#4 0.01 ± 0.00
S=c1ccccn1[O][Ru+]
#4 0.01 ± 0.00
S=c1ccccn1[O][Ru+]
#4 0.01 ± 0.00
S=c1ccccn1[O][Ru+]
#4 0.01 ± 0.00
S=c1ccccn1[O][Ru+]
#4 0.01 ± 0.00
S=c1ccccn1[O][Ru+]
#4 0.01 ± 0.00
S=c1ccccn1[O][Ru+]
#5 0.00 ± 0.00
[O-]n1ccccc1=[S]->[Ru+2]
#5 0.00 ± 0.00
[O-]n1ccccc1=[S]->[Ru+2]
#5 0.00 ± 0.00
[O-]n1ccccc1=[S]->[Ru+2]
#5 0.00 ± 0.00
[O-]n1ccccc1=[S]->[Ru+2]
#5 0.00 ± 0.00
[O-]n1ccccc1=[S]->[Ru+2]
#5 0.00 ± 0.00
[O-]n1ccccc1=[S]->[Ru+2]
#5 0.00 ± 0.00
[O-]n1ccccc1=[S]->[Ru+2]
#5 0.00 ± 0.00
[O-]n1ccccc1=[S]->[Ru+2]
#5 0.00 ± 0.00
[O-]n1ccccc1=[S]->[Ru+2]
#6 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32
#6 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32
#6 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32
#6 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32
#6 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32
#6 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32
#6 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32
#6 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32
#6 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+]3<-[cH](c1=S)[cH]->32
#7 0.00 ± 0.00
[O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S
#7 0.00 ± 0.00
[O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S
#7 0.00 ± 0.00
[O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S
#7 0.00 ± 0.00
[O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S
#7 0.00 ± 0.00
[O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S
#7 0.00 ± 0.00
[O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S
#7 0.00 ± 0.00
[O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S
#7 0.00 ± 0.00
[O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S
#7 0.00 ± 0.00
[O-]n1cc[cH]2->[Ru+2]<-[cH]2c1=S
#8 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#8 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#8 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#8 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#8 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#8 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#8 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#8 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#8 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#9 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S
#9 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S
#9 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S
#9 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S
#9 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S
#9 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S
#9 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S
#9 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S
#9 0.00 ± 0.00
[O-]n1c[cH]2->[Ru+2]<-[cH]2cc1=S
#10 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccn([O-])c(=S)[cH]->23)c1
#12 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12
#12 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12
#12 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12
#12 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12
#12 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12
#12 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12
#12 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12
#12 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12
#12 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccn([O-])c(=S)[cH]->12
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12
#13 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccn([O-])c3=S)<-[cH]12
#14 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12
#14 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12
#14 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12
#14 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12
#14 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12
#14 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12
#14 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12
#14 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12
#14 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccn([O-])c(=S)c3)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12
#15 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(=S)n([O-])c3)<-[cH]12
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(=S)n([O-])c[cH]->23)c1
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(=S)n([O-])c[cH]->12
#18 0.00 ± 0.00
[O-]n1ccc[cH](->[Ru+2])c1=S
#18 0.00 ± 0.00
[O-]n1ccc[cH](->[Ru+2])c1=S
#18 0.00 ± 0.00
[O-]n1ccc[cH](->[Ru+2])c1=S
#18 0.00 ± 0.00
[O-]n1ccc[cH](->[Ru+2])c1=S
#18 0.00 ± 0.00
[O-]n1ccc[cH](->[Ru+2])c1=S
#18 0.00 ± 0.00
[O-]n1ccc[cH](->[Ru+2])c1=S
#18 0.00 ± 0.00
[O-]n1ccc[cH](->[Ru+2])c1=S
#18 0.00 ± 0.00
[O-]n1ccc[cH](->[Ru+2])c1=S
#18 0.00 ± 0.00
[O-]n1ccc[cH](->[Ru+2])c1=S
#19 0.00 ± 0.00
[O-]n1cc[cH](->[Ru+2])cc1=S
#19 0.00 ± 0.00
[O-]n1cc[cH](->[Ru+2])cc1=S
#19 0.00 ± 0.00
[O-]n1cc[cH](->[Ru+2])cc1=S
#19 0.00 ± 0.00
[O-]n1cc[cH](->[Ru+2])cc1=S
#19 0.00 ± 0.00
[O-]n1cc[cH](->[Ru+2])cc1=S
#19 0.00 ± 0.00
[O-]n1cc[cH](->[Ru+2])cc1=S
#19 0.00 ± 0.00
[O-]n1cc[cH](->[Ru+2])cc1=S
#19 0.00 ± 0.00
[O-]n1cc[cH](->[Ru+2])cc1=S
#19 0.00 ± 0.00
[O-]n1cc[cH](->[Ru+2])cc1=S
#20 0.00 ± 0.00
[O-]n1c[cH](->[Ru+2])ccc1=S
#20 0.00 ± 0.00
[O-]n1c[cH](->[Ru+2])ccc1=S
#20 0.00 ± 0.00
[O-]n1c[cH](->[Ru+2])ccc1=S
#20 0.00 ± 0.00
[O-]n1c[cH](->[Ru+2])ccc1=S
#20 0.00 ± 0.00
[O-]n1c[cH](->[Ru+2])ccc1=S
#20 0.00 ± 0.00
[O-]n1c[cH](->[Ru+2])ccc1=S
#20 0.00 ± 0.00
[O-]n1c[cH](->[Ru+2])ccc1=S
#20 0.00 ± 0.00
[O-]n1c[cH](->[Ru+2])ccc1=S
#20 0.00 ± 0.00
[O-]n1c[cH](->[Ru+2])ccc1=S