home← all results complex #681

Complex #681 — Ru(2) [5c]

GT: {"S": 3, "O": 1} → Top-1: {"S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
14
Candidates
{"S": 3, "O": 1}
Ground Truth
{"S": 1}
Top-1 Prediction
0.250
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.52 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.52 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.52 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.52 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.52 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.52 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.52 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.52 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.52 ± 0.00
CC(=O)[S][Ru+]
#2 0.44 ± 0.00
S=C([S][Ru+])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#2 0.44 ± 0.00
S=C([S][Ru+])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#2 0.44 ± 0.00
S=C([S][Ru+])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#2 0.44 ± 0.00
S=C([S][Ru+])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#2 0.44 ± 0.00
S=C([S][Ru+])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#2 0.44 ± 0.00
S=C([S][Ru+])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#2 0.44 ± 0.00
S=C([S][Ru+])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#2 0.44 ± 0.00
S=C([S][Ru+])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#2 0.44 ± 0.00
S=C([S][Ru+])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#3 0.41 ± 0.00
CC(=O)[S][Ru][S]C(=S)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#3 0.41 ± 0.00
CC(=O)[S][Ru][S]C(=S)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#3 0.41 ± 0.00
CC(=O)[S][Ru][S]C(=S)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#3 0.41 ± 0.00
CC(=O)[S][Ru][S]C(=S)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#3 0.41 ± 0.00
CC(=O)[S][Ru][S]C(=S)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#3 0.41 ± 0.00
CC(=O)[S][Ru][S]C(=S)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#3 0.41 ± 0.00
CC(=O)[S][Ru][S]C(=S)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#3 0.41 ± 0.00
CC(=O)[S][Ru][S]C(=S)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#3 0.41 ± 0.00
CC(=O)[S][Ru][S]C(=S)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#4 0.40 ± 0.00
c1c[n+](C2CCCCC2)c(C2[S][Ru+]<-[S]=2)n1C1CCCCC1
#4 0.40 ± 0.00
c1c[n+](C2CCCCC2)c(C2[S][Ru+]<-[S]=2)n1C1CCCCC1
#4 0.40 ± 0.00
c1c[n+](C2CCCCC2)c(C2[S][Ru+]<-[S]=2)n1C1CCCCC1
#4 0.40 ± 0.00
c1c[n+](C2CCCCC2)c(C2[S][Ru+]<-[S]=2)n1C1CCCCC1
#4 0.40 ± 0.00
c1c[n+](C2CCCCC2)c(C2[S][Ru+]<-[S]=2)n1C1CCCCC1
#4 0.40 ± 0.00
c1c[n+](C2CCCCC2)c(C2[S][Ru+]<-[S]=2)n1C1CCCCC1
#4 0.40 ± 0.00
c1c[n+](C2CCCCC2)c(C2[S][Ru+]<-[S]=2)n1C1CCCCC1
#4 0.40 ± 0.00
c1c[n+](C2CCCCC2)c(C2[S][Ru+]<-[S]=2)n1C1CCCCC1
#4 0.40 ± 0.00
c1c[n+](C2CCCCC2)c(C2[S][Ru+]<-[S]=2)n1C1CCCCC1
#5 0.17 ± 0.00
S=C([SH-]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#5 0.17 ± 0.00
S=C([SH-]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#5 0.17 ± 0.00
S=C([SH-]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#5 0.17 ± 0.00
S=C([SH-]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#5 0.17 ± 0.00
S=C([SH-]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#5 0.17 ± 0.00
S=C([SH-]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#5 0.17 ± 0.00
S=C([SH-]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#5 0.17 ± 0.00
S=C([SH-]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#5 0.17 ± 0.00
S=C([SH-]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#6 0.12 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#6 0.12 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#6 0.12 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#6 0.12 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#6 0.12 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#6 0.12 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#6 0.12 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#6 0.12 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#6 0.12 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#7 0.07 ± 0.00
CC(=O)[SH-]->[Ru+2]
#7 0.07 ± 0.00
CC(=O)[SH-]->[Ru+2]
#7 0.07 ± 0.00
CC(=O)[SH-]->[Ru+2]
#7 0.07 ± 0.00
CC(=O)[SH-]->[Ru+2]
#7 0.07 ± 0.00
CC(=O)[SH-]->[Ru+2]
#7 0.07 ± 0.00
CC(=O)[SH-]->[Ru+2]
#7 0.07 ± 0.00
CC(=O)[SH-]->[Ru+2]
#7 0.07 ± 0.00
CC(=O)[SH-]->[Ru+2]
#7 0.07 ± 0.00
CC(=O)[SH-]->[Ru+2]
#8 0.06 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#8 0.06 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#8 0.06 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#8 0.06 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#8 0.06 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#8 0.06 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#8 0.06 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#8 0.06 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#8 0.06 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#9 0.01 ± 0.00
[S-][C]1(c2n(C3CCCCC3)cc[n+]2C2CCCCC2)[S][Ru+2]1
#9 0.01 ± 0.00
[S-][C]1(c2n(C3CCCCC3)cc[n+]2C2CCCCC2)[S][Ru+2]1
#9 0.01 ± 0.00
[S-][C]1(c2n(C3CCCCC3)cc[n+]2C2CCCCC2)[S][Ru+2]1
#9 0.01 ± 0.00
[S-][C]1(c2n(C3CCCCC3)cc[n+]2C2CCCCC2)[S][Ru+2]1
#9 0.01 ± 0.00
[S-][C]1(c2n(C3CCCCC3)cc[n+]2C2CCCCC2)[S][Ru+2]1
#9 0.01 ± 0.00
[S-][C]1(c2n(C3CCCCC3)cc[n+]2C2CCCCC2)[S][Ru+2]1
#9 0.01 ± 0.00
[S-][C]1(c2n(C3CCCCC3)cc[n+]2C2CCCCC2)[S][Ru+2]1
#9 0.01 ± 0.00
[S-][C]1(c2n(C3CCCCC3)cc[n+]2C2CCCCC2)[S][Ru+2]1
#9 0.01 ± 0.00
[S-][C]1(c2n(C3CCCCC3)cc[n+]2C2CCCCC2)[S][Ru+2]1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#10 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#11 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#12 0.00 ± 0.00
[S-]C(=[S]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#12 0.00 ± 0.00
[S-]C(=[S]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#12 0.00 ± 0.00
[S-]C(=[S]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#12 0.00 ± 0.00
[S-]C(=[S]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#12 0.00 ± 0.00
[S-]C(=[S]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#12 0.00 ± 0.00
[S-]C(=[S]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#12 0.00 ± 0.00
[S-]C(=[S]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#12 0.00 ± 0.00
[S-]C(=[S]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#12 0.00 ± 0.00
[S-]C(=[S]->[Ru+2])c1n(C2CCCCC2)cc[n+]1C1CCCCC1
#13 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#13 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#13 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#13 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#13 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#13 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#13 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#13 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#13 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]