home← all results complex #566

Complex #566 — Ru(2) [P1]

GT: {"N": 1, "O": 1, "S": 1} → Top-1: {"P": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
21
Candidates
{"N": 1, "O": 1, "S": 1}
Ground Truth
{"P": 1}
Top-1 Prediction
0.000
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.99 ± 0.00
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1 TOP-1 0.99 ± 0.00
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1 TOP-1 0.99 ± 0.00
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1 TOP-1 0.99 ± 0.00
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1 TOP-1 0.99 ± 0.00
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1 TOP-1 0.99 ± 0.00
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1 TOP-1 0.99 ± 0.00
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1 TOP-1 0.99 ± 0.00
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1 TOP-1 0.99 ± 0.00
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#2 0.98 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#2 0.98 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#2 0.98 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#2 0.98 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#2 0.98 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#2 0.98 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#2 0.98 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#2 0.98 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#2 0.98 ± 0.00
Cc1c2[O][Ru+]<-[S]=c2ccn1C
#3 0.25 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.25 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.25 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.25 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.25 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.25 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.25 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.25 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#3 0.25 ± 0.00
CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62
#4 0.03 ± 0.00
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#4 0.03 ± 0.00
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#4 0.03 ± 0.00
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#4 0.03 ± 0.00
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#4 0.03 ± 0.00
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#4 0.03 ± 0.00
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#4 0.03 ± 0.00
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#4 0.03 ± 0.00
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#4 0.03 ± 0.00
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#5 0.03 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.03 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.03 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.03 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.03 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.03 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.03 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.03 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#5 0.03 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12
#6 0.01 ± 0.00
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#6 0.01 ± 0.00
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#6 0.01 ± 0.00
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#6 0.01 ± 0.00
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#6 0.01 ± 0.00
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#6 0.01 ± 0.00
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#6 0.01 ± 0.00
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#6 0.01 ± 0.00
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#6 0.01 ± 0.00
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#7 0.01 ± 0.00
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#7 0.01 ± 0.00
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#7 0.01 ± 0.00
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#7 0.01 ± 0.00
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#7 0.01 ± 0.00
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#7 0.01 ± 0.00
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#7 0.01 ± 0.00
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#7 0.01 ± 0.00
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#7 0.01 ± 0.00
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#8 0.00 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#8 0.00 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#8 0.00 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#8 0.00 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#8 0.00 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#8 0.00 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#8 0.00 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#8 0.00 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#8 0.00 ± 0.00
Cc1c([O][Ru+])c(=S)ccn1C
#9 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#9 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#9 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#9 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#9 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#9 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#9 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#9 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#9 0.00 ± 0.00
Cc1c([O-])c(=[S]->[Ru+2])ccn1C
#10 0.00 ± 0.00
Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C
#10 0.00 ± 0.00
Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C
#10 0.00 ± 0.00
Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C
#10 0.00 ± 0.00
Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C
#10 0.00 ± 0.00
Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C
#10 0.00 ± 0.00
Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C
#10 0.00 ± 0.00
Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C
#10 0.00 ± 0.00
Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C
#10 0.00 ± 0.00
Cc1c([O][Ru+]<-[N]23CN4CN(CP(C4)C2)C3)c(=S)ccn1C
#11 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#11 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#11 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#11 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#11 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#11 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#11 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#11 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#11 0.00 ± 0.00
Cc1c2[O][Ru+]<-[cH](cn1C)c2=S
#12 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#12 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#12 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#12 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#12 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#12 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#12 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#12 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#12 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1
#13 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#13 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#13 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#13 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#13 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#13 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#13 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#13 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#13 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S
#14 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#14 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#14 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#14 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#14 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#14 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#14 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#14 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#14 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#15 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#15 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#15 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#15 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#15 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#15 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#15 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#15 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#15 0.00 ± 0.00
Cc1c([O-]->[Ru+2])c(=S)ccn1C
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#16 0.00 ± 0.00
Cc1ccc(C(C)C)[cH](->[Ru+2])c1
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
Cc1ccc(C(C)C)c[cH]1->[Ru+2]
#18 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#18 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#18 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#18 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#18 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#18 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#18 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#18 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#18 0.00 ± 0.00
Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12
#19 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#19 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#19 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#19 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#19 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#19 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#19 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#19 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C
#19 0.00 ± 0.00
Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C