home← all results complex #302

Complex #302 — Ru(2) [1]

GT: {"N": 3, "S": 1, "P": 2} → Top-1: {"N": 2, "S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
66
Candidates
{"N": 3, "S": 1, "P": 2}
Ground Truth
{"N": 2, "S": 1}
Top-1 Prediction
0.990
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.99 ± 0.02
CC1=[NH]->[Ru+]2[S]C(=N[N]->2=C1C)SCc1ccccc1
#1 TOP-1 0.84 ± 0.13
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#1 TOP-1 0.98 ± 0.02
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)<-[P](c1ccccc1)(c1c...
#2 0.00 ± 0.00
CC(=N)C(C)=[N]1N=C(SCc2ccccc2)[S][Ru+]<-1
#2 0.03 ± 0.03
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)[CH]1C=CC=C([CH]13)P(c1ccccc1)C1=CC=C[CH]4[CH]15
#2 0.02 ± 0.01
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC=C([CH]...
#3 0.00 ± 0.00
CC(=N)C(C)=N[N]1->[Ru+][S]C=1SCc1ccccc1
#3 0.02 ± 0.01
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)[CH]1C=C(P(c2ccccc2)c2ccccc2)[CH]3[CH]4[CH]15
#3 0.01 ± 0.00
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=C(P(c2ccc...
#4 0.00 ± 0.00
CC(=N)C(C)=NN=C([S][Ru+])SCc1ccccc1
#4 0.01 ± 0.02
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1cc(P(c2ccccc2)c2ccccc2)[cH]->3[cH]->4[cH]->5...
#4 0.00 ± 0.01
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1cc(P(c2ccccc2)c2ccccc2)[cH]->3[cH]->4[cH]->...
#5 0.00 ± 0.00
CC1=[NH]->[Ru+2]<-[N](N=C([S-])SCc2ccccc2)=C1C
#5 0.01 ± 0.01
CC1=[NH]->[Ru+]23([S]C(=N[N]->2=C1C)SCc1ccccc1)[CH]1C=CC=C(P(c2ccccc2)c2ccccc2)[CH]13
#5 0.00 ± 0.01
CC1=[NH]->[Ru]234([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1ccc(P(c2ccccc2)c2ccccc2)[cH]->3[cH]->41)<-[P]...
#6 0.00 ± 0.00
CC1=N[N](->[Ru+2]<-[NH]=C1C)=C([S-])SCc1ccccc1
#6 0.01 ± 0.02
CC1=[NH]->[Ru+]23([S]C(=N[N]->2=C1C)SCc1ccccc1)[CH]1C=CC(P(c2ccccc2)c2ccccc2)=C[CH]13
#6 0.00 ± 0.00
CC1=[NH]->[Ru+]23([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC=C(P(c2cc...
#7 0.00 ± 0.00
CC(=N)C(C)=NN=C(SCc1ccccc1)[SH-]->[Ru+2]
#7 0.01 ± 0.01
CC1=[NH]->[Ru+]23([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1cccc(P(c2ccccc2)c2ccccc2)[cH]->31
#7 0.00 ± 0.00
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1ccccc1P(c1ccccc1)c1ccccc1)<-[P](c1ccccc1)(c1cc...
#8 0.00 ± 0.00
CC(=N)C(C)=[N]1->[Ru+2]<-[N]1=C([S-])SCc1ccccc1
#8 0.01 ± 0.00
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)[CH]1C=CC(=C[CH]13)P(c1ccccc1)C1=CC=C[CH]4[CH]15
#8 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1ccccc1P(c1ccccc1)c1ccc[cH]->3[cH]->41)<-[P](...
#9 0.00 ± 0.00
CC(=N)C(C)=N[N](->[Ru+2])=C([S-])SCc1ccccc1
#9 0.00 ± 0.01
CC1=[NH]->[Ru+]23([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1ccc(P(c2ccccc2)c2ccccc2)c[cH]->31
#9 0.00 ± 0.00
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC(=C[CH]...
#10 0.00 ± 0.00
CC(=NN=C([S-])SCc1ccccc1)C(C)=[NH]->[Ru+2]
#10 0.00 ± 0.00
CC1=[NH]->[Ru]234([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1ccc(P(c2ccccc2)c2ccccc2)[cH]->3[cH]->41
#10 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1ccccc1P(c1ccccc1)c1cc[cH]->3[cH]->4c1)<-[P](...
#11 0.00 ± 0.00
CC(=N)C(C)=[N](->[Ru+2])N=C([S-])SCc1ccccc1
#11 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1ccccc1P(c1ccccc1)c1ccc[cH]->3[cH]->41
#11 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1ccc(P(c2ccccc2)c2ccc[cH]->3[cH]->42)cc1)<-[P...
#12 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SC[c]12->[Ru+2]3456<-[cH]([cH]->3[cH]->41)[cH]->5[cH]->62
#12 0.00 ± 0.00
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)[CH]1C=CC(=C[CH]13)P(c1ccccc1)C1=C[CH]4[CH]5C=C1
#12 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1cccc(P(c2ccccc2)c2ccc[cH]->3[cH]->42)c1)<-[P...
#13 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])[S](->[Ru+2])Cc1ccccc1
#13 0.00 ± 0.00
CC1=[NH]->[Ru]234([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1cc(P(c2ccccc2)c2ccccc2)c[cH]->3[cH]->41
#13 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1ccc(P(c2ccccc2)c2cc[cH]->3[cH]->4c2)cc1)<-[P...
#14 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCC1=CC=C[CH]2[Ru+2][CH]12
#14 0.00 ± 0.00
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1ccccc1P(c1ccccc1)c1ccccc1
#14 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1cccc(P(c2ccccc2)c2cc[cH]->3[cH]->4c2)c1)<-[P...
#15 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCC1=C[CH]2[Ru+2][CH]2C=C1
#15 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1ccccc1P(c1ccccc1)c1cc[cH]->3[cH]->4c1
#15 0.00 ± 0.00
CC1=[NH]->[Ru+]23([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC(P(c2cccc...
#16 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCc1ccc[cH]2->[Ru+2]<-[cH]12
#16 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1ccc(P(c2ccccc2)c2ccc[cH]->3[cH]->42)cc1
#16 0.00 ± 0.00
CC1=[NH]->[Ru+]23([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1cccc(P(c2ccccc2)c2ccccc2)[cH]->31)<-[P](c1ccc...
#17 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCc1cc[cH]2->[Ru+2]<-[cH]2c1
#17 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1cccc(P(c2ccccc2)c2ccc[cH]->3[cH]->42)c1
#17 0.00 ± 0.00
CC1=[NH]->[Ru]234([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1cc(P(c2ccccc2)c2ccccc2)c[cH]->3[cH]->41)<-[P]...
#18 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCc1cc[cH]2->[Ru+]3<-[cH]1[cH]->32
#18 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1ccc(P(c2ccccc2)c2cc[cH]->3[cH]->4c2)cc1
#18 0.00 ± 0.00
CC1=[NH]->[Ru+]2345([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1C=CC(=C[CH]...
#19 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCc1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32
#19 0.00 ± 0.00
CC1=[NH]->[Ru+]234([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1cccc(P(c2ccccc2)c2cc[cH]->3[cH]->4c2)c1
#19 0.00 ± 0.00
CC1=[NH]->[Ru+]23([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1ccc(P(c2ccccc2)c2ccccc2)c[cH]->31)<-[P](c1ccc...
#20 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCc1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42
#20 0.00 ± 0.00
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1ccc(P(c2ccccc2)c2ccccc2)cc1
#20 0.00 ± 0.00
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1ccc(P(c2ccccc2)c2ccccc2)cc1)<-[P](c1ccccc1)(c1...
#21 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCC1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234
#21 0.00 ± 0.00
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)<-[cH]1cccc(P(c2ccccc2)c2ccccc2)c1
#21 0.00 ± 0.00
CC1=[NH]->[Ru+]2([S]C(=N[N]->2=C1C)SCc1ccccc1)(<-[cH]1cccc(P(c2ccccc2)c2ccccc2)c1)<-[P](c1ccccc1)(c1...
#22 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCc1cccc[cH]1->[Ru+2]
#23 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCc1ccc[cH](->[Ru+2])c1
#24 0.00 ± 0.00
CC(=N)C(C)=NN=C([S-])SCc1cc[cH](->[Ru+2])cc1