home← all results complex #104

Complex #104 — Ru(2) [1]

GT: {"O": 1, "N": 3} → Top-1: {"O": 1, "N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
38
Candidates
{"O": 1, "N": 3}
Ground Truth
{"O": 1, "N": 1}
Top-1 Prediction
0.540
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.54 ± 0.39
C1=CC2NC=C(/C=[N]3\N=C([O][Ru+]<-3)c3ccccc3)C2C=C1
#1 TOP-1 0.07 ± 0.16
C1=CC2NC=C(/C=[N]3\N=C([O][Ru+]<-345678<-[cH]3[cH]->4[cH]->5[cH]->6[cH]->7[cH]->83)c3ccccc3)C2C=C1
#2 0.25 ± 0.33
C1=CC2NC=C(/C=[N]3/N=C([O][Ru+]<-3)c3ccccc3)C2C=C1
#2 0.05 ± 0.06
C1=CC2NC=C(/C=[N]3\N=C([O][Ru+]<-3456[CH]3C=C[CH]4[CH]5[CH]36)c3ccccc3)C2C=C1
#3 0.00 ± 0.01
[Ru+][O]/C(=N\N=C/C1=CNC2C=CC=CC12)c1ccccc1
#3 0.01 ± 0.02
C1=CC2NC=C(/C=[N]3\N=C([O][Ru+]<-34[CH]3C=CC=C[CH]34)c3ccccc3)C2C=C1
#4 0.00 ± 0.01
C1=CC2NC=C(/C=N\N=C3/[O][Ru+]4[CH]5C=CC=C[C]354)C2C=C1
#4 0.00 ± 0.00
C1=CC2NC=C(/C=[N]3\N=C([O][Ru+]<-3456<-[cH]3cc[cH]->4[cH]->5[cH]->63)c3ccccc3)C2C=C1
#5 0.00 ± 0.00
C1=CC2C3/C=N\N=C(/[O][Ru+]<-[NH](C=3)C2C=C1)c1ccccc1
#5 0.00 ± 0.00
C1=CC2NC=C(/C=[N]3\N=C([O][Ru+]<-34<-[cH]3cccc[cH]->43)c3ccccc3)C2C=C1
#6 0.00 ± 0.00
C1=CC2NC=C(/C=N\[N]3->[Ru+][O]C=3c3ccccc3)C2C=C1
#6 0.00 ± 0.00
C1=CC2NC=C(/C=[N]3\N=C([O][Ru+]<-3<-[cH]3ccccc3)c3ccccc3)C2C=C1
#7 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C1C=C[CH]1[Ru+2][CH]12)c1ccccc1
#7 0.00 ± 0.00
C1=CC2NC=C(/C=[N]3\N=C([O][Ru]<-345<-[cH]3ccc[cH]->4[cH]->53)c3ccccc3)C2C=C1
#8 0.00 ± 0.00
[O-]/C(c1ccccc1)=[N]1->[Ru+2]<-[N]/1=C/C1=CNC2C=CC=CC12
#9 0.00 ± 0.00
[Ru+2]<-[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1ccccc1
#10 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=C[CH]3[Ru+2][CH]3C12)c1ccccc1
#11 0.00 ± 0.00
[O-]/C(=N\[N](->[Ru+2])=C/C1=CNC2C=CC=CC12)c1ccccc1
#12 0.00 ± 0.00
[O-]/C(c1ccccc1)=[N](->[Ru+2])\N=C/C1=CNC2C=CC=CC12
#13 0.00 ± 0.00
[O-]/C(=N\N=C/C1=C[NH](->[Ru+2])C2C=CC=CC12)c1ccccc1
#14 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C1[CH]1[CH]3[CH]4[CH]2[Ru+2]143)c1ccccc1
#15 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)[c]12->[Ru+2]3456<-[cH]([cH]->3[cH]->41)[cH]->5[cH]->62
#16 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=[C]3[Ru+2][C]3=CC12)c1ccccc1
#17 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)C1=C[CH]2[Ru+2][CH]2C=C1
#18 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32
#19 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)C1=CC=C[CH]2[Ru+2][CH]12
#20 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1cc[cH]2->[Ru+2]<-[cH]2c1
#21 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1cc[cH]2->[Ru+]3<-[cH]1[cH]->32
#22 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1ccc[cH]2->[Ru+2]<-[cH]12
#23 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C1C=CC=[CH]2->[Ru+2])c1ccccc1
#24 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=C[CH](->[Ru+2])=CC12)c1ccccc1
#25 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=[CH](->[Ru+2])C=CC12)c1ccccc1
#26 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=[CH](->[Ru+2])C12)c1ccccc1
#27 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42
#28 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234
#29 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1cc[cH](->[Ru+2])cc1
#30 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1ccc[cH](->[Ru+2])c1
#31 0.00 ± 0.00
[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1cccc[cH]1->[Ru+2]