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Complex #42 — Ru(2) [3a,7,[Ru(phen)2p-NPIP]2+]

GT: {"O": 1, "N": 5} → Top-1: {"N": 15}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
3
Candidates
{"O": 1, "N": 5}
Ground Truth
{"N": 15}
Top-1 Prediction
0.312
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring. For sequential results only top-1 prediction is stored.
#1 TOP-1 0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1 TOP-1 0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1 TOP-1 0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1 TOP-1 0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1 TOP-1 0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1 TOP-1 0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1 TOP-1 0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1 TOP-1 0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1 TOP-1 0.99 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]<-[n](c1)c2c34
#1 TOP-1 0.88 ± 0.10
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1 TOP-1 0.20 ± 0.43
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc8ccc9ccc[n]->6c9c87)<-[n]6cccc(c3[nH]2)c6c45)cc...
#1 TOP-1 0.20 ± 0.44
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)(<-[n]6cccc8ccc9ccc[n]...
#2 0.85 ± 0.00
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2 0.85 ± 0.00
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2 0.85 ± 0.00
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2 0.85 ± 0.00
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2 0.85 ± 0.00
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2 0.85 ± 0.00
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2 0.85 ± 0.00
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2 0.85 ± 0.00
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2 0.85 ± 0.00
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#2 0.13 ± 0.11
O=[N+]([O-])c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]6<-[n]7cccc(c7c45)c3[n]->62)cc1
#2 0.01 ± 0.01
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3[nH]2)c7c45)[CH]2C=Nc3c(ccc4cccnc34)[CH]26)c...
#2 0.02 ± 0.05
O=[N+]([O-])c1ccc(-c2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc8ccc9cccnc9c87)(<-[n]7cccc8ccc9ccc[n]->6c9c87)<...
#3 0.24 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#3 0.24 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#3 0.24 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#3 0.24 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#3 0.24 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21
#3 0.24 ± 0.00
c1cc2ccc3ccc[n]4->[Ru+2]5(<-[n](c1)c2c34)<-[n]1cccc2ccc3ccc[n]->5c3c21