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Complex #307 — Ru(2) [Ru(EGA)]

GT: {"O": 1, "N": 2, "P": 2} → Top-1: {"O": 3, "N": 4, "P": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
3
Candidates
{"O": 1, "N": 2, "P": 2}
Ground Truth
{"O": 3, "N": 4, "P": 2}
Top-1 Prediction
0.556
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 0.16 ± 0.00
CC(=O)Oc1cc2C(=O)[O][Ru+]<-[O]=C(C)Oc(c2)c1OC(C)=O
#1 TOP-1 0.16 ± 0.00
CC(=O)Oc1cc2C(=O)[O][Ru+]<-[O]=C(C)Oc(c2)c1OC(C)=O
#1 TOP-1 0.16 ± 0.00
CC(=O)Oc1cc2C(=O)[O][Ru+]<-[O]=C(C)Oc(c2)c1OC(C)=O
#1 TOP-1 0.16 ± 0.00
CC(=O)Oc1cc2C(=O)[O][Ru+]<-[O]=C(C)Oc(c2)c1OC(C)=O
#1 TOP-1 0.16 ± 0.00
CC(=O)Oc1cc2C(=O)[O][Ru+]<-[O]=C(C)Oc(c2)c1OC(C)=O
#1 TOP-1 0.16 ± 0.00
CC(=O)Oc1cc2C(=O)[O][Ru+]<-[O]=C(C)Oc(c2)c1OC(C)=O
#1 TOP-1 0.16 ± 0.00
CC(=O)Oc1cc2C(=O)[O][Ru+]<-[O]=C(C)Oc(c2)c1OC(C)=O
#1 TOP-1 0.16 ± 0.00
CC(=O)Oc1cc2C(=O)[O][Ru+]<-[O]=C(C)Oc(c2)c1OC(C)=O
#1 TOP-1 0.16 ± 0.00
CC(=O)Oc1cc2C(=O)[O][Ru+]<-[O]=C(C)Oc(c2)c1OC(C)=O
#1 TOP-1 1.00 ± 0.00
c1cc[n]2->[Ru+2]<-[n]3ccccc3-c2c1
#1 TOP-1 0.69 ± 0.27
c1ccc([P]2(CCCC[P](c3ccccc3)(c3ccccc3)->[Ru+2]<-23<-[n]2ccccc2-c2cccc[n]->32)c2ccccc2)cc1
#2 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O][Ru+]<-[P](CCCCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O
#2 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O][Ru+]<-[P](CCCCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O
#2 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O][Ru+]<-[P](CCCCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O
#2 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O][Ru+]<-[P](CCCCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O
#2 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O][Ru+]<-[P](CCCCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O
#2 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O][Ru+]<-[P](CCCCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O
#2 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O][Ru+]<-[P](CCCCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O
#2 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O][Ru+]<-[P](CCCCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O
#2 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O][Ru+]<-[P](CCCCP(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O
#2 0.00 ± 0.00
[Ru+2]<-[n]1ccccc1-c1ccccn1
#2 0.01 ± 0.01
c1ccc(P(CCCC[P](c2ccccc2)(c2ccccc2)->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)c2ccccc2)cc1
#3 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=[O]->[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#3 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=[O]->[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#3 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=[O]->[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#3 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=[O]->[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#3 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=[O]->[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#3 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=[O]->[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#3 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=[O]->[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#3 0.00 ± 0.00
CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=[O]->[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1