home← all results complex #89

Complex #89 — Ru(2) [4]

GT: {"P": 1, "N": 5} → Top-1: {"P": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
41
Candidates
{"P": 1, "N": 5}
Ground Truth
{"P": 1}
Top-1 Prediction
0.990
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.99 ± 0.01
[Ru+2]<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#1 TOP-1 0.84 ± 0.29
c1ccc([P](->[Ru+2]<-[n]2c[nH]c3ccccc32)(c2ccccc2)c2ccccc2)cc1
#1 TOP-1 0.89 ± 0.15
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[n]4c[nH]c5ccccc54)<-[n]4cccn4C(n4ccc[n]->24)n2ccc[n]->32)...
#2 0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2 0.04 ± 0.02
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]234[CH]5c6nc[nH]c6[CH]2[CH]3[CH]54)cc1
#2 0.21 ± 0.26
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[n]3c[nH]c4ccccc43)<-[n]3cccn3C(n3cccn3)n3ccc[n]->23)cc1
#3 0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)cc1
#3 0.02 ± 0.03
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23<-[cH]4ccc5c([nH]c[n]->25)[cH]->34)cc1
#3 0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[n]2c[nH]c3ccccc32)<-[n]2cccn2C(n2cccn2)n2cccn2)cc1
#4 0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1
#4 0.01 ± 0.01
C1=C[CH]2[CH](c3nc[nH]c31)[Ru+2]2<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#4 0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2cnn(C(n3cccn3)n3cccn3)c2)<-[n]2c[nH]c3ccccc32)cc1
#5 0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+]4<-[cH](c2)[cH]->43)cc1
#5 0.01 ± 0.01
C1=C[CH]2[CH](c3[nH]cnc31)[Ru+2]2<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#6 0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)cc1
#6 0.00 ± 0.01
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23<-[cH]4cc5[nH]c[n]->2c5c[cH]->34)cc1
#7 0.00 ± 0.00
C1=C[CH]2[Ru+2][CH]2C=C1P(c1ccccc1)c1ccccc1
#7 0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+]23<-[cH]4cc5[nH]cnc5[cH]->2[cH]->34)cc1
#8 0.00 ± 0.00
C1=C[CH]2[Ru+2][CH]2C(P(c2ccccc2)c2ccccc2)=C1
#8 0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]234<-[cH]5c6nc[nH]c6[cH]->2[cH]->3[cH]->45)cc1
#9 0.00 ± 0.00
C1=C(P(c2ccccc2)c2ccccc2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243
#9 0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+]23<-[cH]4cc5nc[nH]c5[cH]->2[cH]->34)cc1
#10 0.00 ± 0.00
[Ru+2]<-[cH]1ccccc1P(c1ccccc1)c1ccccc1
#10 0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2<-[cH]3ccc4[nH]cnc4[cH]->23)cc1
#11 0.00 ± 0.00
[Ru+2]<-[cH]1ccc(P(c2ccccc2)c2ccccc2)cc1
#11 0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2<-[cH]3ccc4nc[nH]c4[cH]->23)cc1
#12 0.00 ± 0.00
c1ccc(P2c3cccc[cH]3->[Ru+2]3<-[cH]4cccc2[cH]->34)cc1
#12 0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2<-[cH]3cc4nc[nH]c4c[cH]->23)cc1
#13 0.00 ± 0.00
[Ru+2]<-[cH]1cccc(P(c2ccccc2)c2ccccc2)c1
#13 0.00 ± 0.00
c1ccc([P](->[Ru+2]<-[cH]2cccc3[nH]cnc32)(c2ccccc2)c2ccccc2)cc1
#14 0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=CC=C[CH]4[CH]1[Ru+2]243
#14 0.00 ± 0.00
c1ccc([P](->[Ru+2]<-[cH]2cccc3nc[nH]c32)(c2ccccc2)c2ccccc2)cc1
#15 0.00 ± 0.00
c1ccc(P2c3cc[cH]4->[Ru+2](<-[cH]5ccccc52)<-[cH]4c3)cc1
#15 0.00 ± 0.00
c1ccc([P](->[Ru+2]<-[cH]2ccc3nc[nH]c3c2)(c2ccccc2)c2ccccc2)cc1
#16 0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)c3)cc1
#16 0.00 ± 0.00
c1ccc([P](->[Ru+2]<-[cH]2ccc3[nH]cnc3c2)(c2ccccc2)c2ccccc2)cc1
#17 0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)c3)cc1
#18 0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)cc3)cc1
#19 0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)cc3)cc1
#20 0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]423
#21 0.00 ± 0.00
C1=C[CH]2[CH]3C=C1P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234