home← all results complex #106

Complex #106 — Ru(2) [3]

GT: {"O": 1, "N": 3} → Top-1: {"N": 1, "O": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
28
Candidates
{"O": 1, "N": 3}
Ground Truth
{"N": 1, "O": 1}
Top-1 Prediction
0.570
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.57 ± 0.40
COc1ccc(C2=N/[N](=C\C3=CNC4C=CC=CC34)->[Ru+][O]2)cc1
#1 TOP-1 0.09 ± 0.19
COc1ccc(C2=N/[N](=C\C3=CNC4C=CC=CC34)->[Ru+]34567([O]2)<-[cH]2[cH]->3[cH]->4[cH]->5[cH]->6[cH]->72)c...
#2 0.28 ± 0.35
COc1ccc(C2=N/[N](=C/C3=CNC4C=CC=CC34)->[Ru+][O]2)cc1
#2 0.06 ± 0.07
COc1ccc(C2=N/[N](=C\C3=CNC4C=CC=CC34)->[Ru+]345([O]2)[CH]2C=C[CH]3[CH]4[CH]25)cc1
#3 0.00 ± 0.01
COc1ccc(/C(=N/N=C\C2=CNC3C=CC=CC23)[O][Ru+])cc1
#3 0.02 ± 0.03
COc1ccc(C2=N/[N](=C\C3=CNC4C=CC=CC34)->[Ru+]3([O]2)[CH]2C=CC=C[CH]23)cc1
#4 0.00 ± 0.00
COc1ccc(/C2=N/N=C\C3=C[NH](->[Ru+][O]2)C2C=CC=CC32)cc1
#4 0.00 ± 0.00
COc1ccc(C2=N/[N](=C\C3=CNC4C=CC=CC34)->[Ru+]345([O]2)<-[cH]2cc[cH]->3[cH]->4[cH]->52)cc1
#5 0.00 ± 0.00
COc1ccc(C2[O][Ru+]<-[N]=2/N=C\C2=CNC3C=CC=CC23)cc1
#5 0.00 ± 0.00
COc1ccc(C2=N/[N](=C\C3=CNC4C=CC=CC34)->[Ru+]3([O]2)<-[cH]2cccc[cH]->32)cc1
#6 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C2C=C[CH]2[Ru+2][CH]23)cc1
#6 0.00 ± 0.00
COc1ccc(C2=N/[N](=C\C3=CNC4C=CC=CC34)->[Ru+]([O]2)<-[cH]2ccccc2)cc1
#7 0.00 ± 0.00
COc1ccc(/C([O-])=[N]2->[Ru+2]<-[N]\2=C\C2=CNC3C=CC=CC23)cc1
#7 0.00 ± 0.00
COc1ccc(C2=N/[N](=C\C3=CNC4C=CC=CC34)->[Ru]34([O]2)<-[cH]2ccc[cH]->3[cH]->42)cc1
#8 0.00 ± 0.00
COc1ccc(/C(=N/N=C\C2=CNC3C=CC=CC23)[O-]->[Ru+2])cc1
#9 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=C[CH]4[Ru+2][CH]4C23)cc1
#10 0.00 ± 0.00
COc1ccc(/C([O-])=N/[N](->[Ru+2])=C\C2=CNC3C=CC=CC23)cc1
#11 0.00 ± 0.00
COc1ccc(/C([O-])=[N](->[Ru+2])/N=C\C2=CNC3C=CC=CC23)cc1
#12 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=C[NH](->[Ru+2])C3C=CC=CC23)cc1
#13 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C2[CH]2[CH]4[CH]5[CH]3[Ru+2]254)cc1
#14 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=[C]4[Ru+2][C]4=CC23)cc1
#15 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=CC=CC23)[cH]2->[Ru+2]<-[cH]12
#16 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C2C=CC=[CH]3->[Ru+2])cc1
#17 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=C[CH](->[Ru+2])=CC23)cc1
#18 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=CC=[CH](->[Ru+2])C23)cc1
#19 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=[CH](->[Ru+2])C=CC23)cc1
#20 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=CC=CC23)c[cH]1->[Ru+2]
#21 0.00 ± 0.00
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=CC=CC23)[cH](->[Ru+2])c1