home← all results complex #682

Complex #682 — Ru(2) [5d]

GT: {"S": 3, "O": 1, "N": 2} → Top-1: {"S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
19
Candidates
{"S": 3, "O": 1, "N": 2}
Ground Truth
{"S": 1}
Top-1 Prediction
0.167
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.72 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.72 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.72 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.72 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.72 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.72 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.72 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.72 ± 0.00
CC(=O)[S][Ru+]
#1 TOP-1 0.72 ± 0.00
CC(=O)[S][Ru+]
#2 0.40 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1
#2 0.40 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1
#2 0.40 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1
#2 0.40 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1
#2 0.40 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1
#2 0.40 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1
#2 0.40 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1
#2 0.40 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1
#2 0.40 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1
#3 0.38 ± 0.00
CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
#3 0.38 ± 0.00
CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
#3 0.38 ± 0.00
CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
#3 0.38 ± 0.00
CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
#3 0.38 ± 0.00
CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
#3 0.38 ± 0.00
CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
#3 0.38 ± 0.00
CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
#3 0.38 ± 0.00
CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
#3 0.38 ± 0.00
CC(=O)[S][Ru][S]C(=S)C1=[N+](c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
#4 0.37 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1
#4 0.37 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1
#4 0.37 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1
#4 0.37 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1
#4 0.37 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1
#4 0.37 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1
#4 0.37 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1
#4 0.37 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1
#4 0.37 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1
#5 0.17 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#5 0.17 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#5 0.17 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#5 0.17 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#5 0.17 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#5 0.17 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#5 0.17 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#5 0.17 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#5 0.17 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#6 0.12 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1
#6 0.12 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1
#6 0.12 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1
#6 0.12 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1
#6 0.12 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1
#6 0.12 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1
#6 0.12 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1
#6 0.12 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1
#6 0.12 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1
#7 0.10 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#7 0.10 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#7 0.10 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#7 0.10 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#7 0.10 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#7 0.10 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#7 0.10 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#7 0.10 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#7 0.10 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#8 0.03 ± 0.00
CC(=O)[SH-]->[Ru+2]
#8 0.03 ± 0.00
CC(=O)[SH-]->[Ru+2]
#8 0.03 ± 0.00
CC(=O)[SH-]->[Ru+2]
#8 0.03 ± 0.00
CC(=O)[SH-]->[Ru+2]
#8 0.03 ± 0.00
CC(=O)[SH-]->[Ru+2]
#8 0.03 ± 0.00
CC(=O)[SH-]->[Ru+2]
#8 0.03 ± 0.00
CC(=O)[SH-]->[Ru+2]
#8 0.03 ± 0.00
CC(=O)[SH-]->[Ru+2]
#8 0.03 ± 0.00
CC(=O)[SH-]->[Ru+2]
#9 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#9 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#9 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#9 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#9 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#9 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#9 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#9 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#9 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#10 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1
#10 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1
#10 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1
#10 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1
#10 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1
#10 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1
#10 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1
#10 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1
#10 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)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
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)CC2)c(C)c1
#12 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)CC2)c(C)c1
#12 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)CC2)c(C)c1
#12 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)CC2)c(C)c1
#12 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)CC2)c(C)c1
#12 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)CC2)c(C)c1
#12 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)CC2)c(C)c1
#12 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)CC2)c(C)c1
#12 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)CC2)c(C)c1
#13 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C2C(=S)[S-])c(C)c1
#13 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C2C(=S)[S-])c(C)c1
#13 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C2C(=S)[S-])c(C)c1
#13 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C2C(=S)[S-])c(C)c1
#13 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C2C(=S)[S-])c(C)c1
#13 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C2C(=S)[S-])c(C)c1
#13 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C2C(=S)[S-])c(C)c1
#13 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C2C(=S)[S-])c(C)c1
#13 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C2C(=S)[S-])c(C)c1
#14 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#14 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#14 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#14 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#14 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#14 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#14 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#14 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#14 0.00 ± 0.00
CC([S-])=[O]->[Ru+2]
#15 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1
#15 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1
#15 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1
#15 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1
#15 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1
#15 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1
#15 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1
#15 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1
#15 0.00 ± 0.00
Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1
#16 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1
#16 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1
#16 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1
#16 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1
#16 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1
#16 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1
#16 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1
#16 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1
#16 0.00 ± 0.00
Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1