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Complex #620 — Ru(2) [LCR134]

GT: {"N": 6, "P": 1} → Top-1: {"S": 6, "N": 6, "P": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
3
Candidates
{"N": 6, "P": 1}
Ground Truth
{"S": 6, "N": 6, "P": 1}
Top-1 Prediction
0.000
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 0.73 ± 0.00
O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2cc[n]3->[Ru+2]<-[n]4ccc(COC(=O)CCCC[C@H]5SC[C@H]6NC(=O)N[C@...
#1 TOP-1 0.73 ± 0.00
O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2cc[n]3->[Ru+2]<-[n]4ccc(COC(=O)CCCC[C@H]5SC[C@H]6NC(=O)N[C@...
#1 TOP-1 0.73 ± 0.00
O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2cc[n]3->[Ru+2]<-[n]4ccc(COC(=O)CCCC[C@H]5SC[C@H]6NC(=O)N[C@...
#1 TOP-1 0.73 ± 0.00
O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2cc[n]3->[Ru+2]<-[n]4ccc(COC(=O)CCCC[C@H]5SC[C@H]6NC(=O)N[C@...
#1 TOP-1 0.73 ± 0.00
O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2cc[n]3->[Ru+2]<-[n]4ccc(COC(=O)CCCC[C@H]5SC[C@H]6NC(=O)N[C@...
#1 TOP-1 0.73 ± 0.00
O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2cc[n]3->[Ru+2]<-[n]4ccc(COC(=O)CCCC[C@H]5SC[C@H]6NC(=O)N[C@...
#1 TOP-1 0.73 ± 0.00
O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2cc[n]3->[Ru+2]<-[n]4ccc(COC(=O)CCCC[C@H]5SC[C@H]6NC(=O)N[C@...
#1 TOP-1 0.73 ± 0.00
O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2cc[n]3->[Ru+2]<-[n]4ccc(COC(=O)CCCC[C@H]5SC[C@H]6NC(=O)N[C@...
#1 TOP-1 0.73 ± 0.00
O=C1N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)OCc2cc[n]3->[Ru+2]<-[n]4ccc(COC(=O)CCCC[C@H]5SC[C@H]6NC(=O)N[C@...
#2 0.02 ± 0.00
c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32
#2 0.02 ± 0.00
c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32
#2 0.02 ± 0.00
c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32
#2 0.02 ± 0.00
c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32
#2 0.02 ± 0.00
c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32
#2 0.02 ± 0.00
c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32
#2 0.02 ± 0.00
c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32
#2 0.02 ± 0.00
c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32
#2 0.02 ± 0.00
c1[cH-][cH]2->[Ru+]3<-[cH]1[cH]->32
#3 0.02 ± 0.00
O=C1CCCC[C@@H]2[C@H]3[C@H]4C[S]2->[Ru+2]2(<-[NH]3C(=O)N4)<-[NH]3C(=O)N[C@@H]4C[S]->2[C@H](CCCCC(=O)O...
#3 0.02 ± 0.00
O=C1CCCC[C@@H]2[C@H]3[C@H]4C[S]2->[Ru+2]2(<-[NH]3C(=O)N4)<-[NH]3C(=O)N[C@@H]4C[S]->2[C@H](CCCCC(=O)O...
#3 0.02 ± 0.00
O=C1CCCC[C@@H]2[C@H]3[C@H]4C[S]2->[Ru+2]2(<-[NH]3C(=O)N4)<-[NH]3C(=O)N[C@@H]4C[S]->2[C@H](CCCCC(=O)O...
#3 0.02 ± 0.00
O=C1CCCC[C@@H]2[C@H]3[C@H]4C[S]2->[Ru+2]2(<-[NH]3C(=O)N4)<-[NH]3C(=O)N[C@@H]4C[S]->2[C@H](CCCCC(=O)O...
#3 0.02 ± 0.00
O=C1CCCC[C@@H]2[C@H]3[C@H]4C[S]2->[Ru+2]2(<-[NH]3C(=O)N4)<-[NH]3C(=O)N[C@@H]4C[S]->2[C@H](CCCCC(=O)O...
#3 0.02 ± 0.00
O=C1CCCC[C@@H]2[C@H]3[C@H]4C[S]2->[Ru+2]2(<-[NH]3C(=O)N4)<-[NH]3C(=O)N[C@@H]4C[S]->2[C@H](CCCCC(=O)O...
#3 0.02 ± 0.00
O=C1CCCC[C@@H]2[C@H]3[C@H]4C[S]2->[Ru+2]2(<-[NH]3C(=O)N4)<-[NH]3C(=O)N[C@@H]4C[S]->2[C@H](CCCCC(=O)O...
#3 0.02 ± 0.00
O=C1CCCC[C@@H]2[C@H]3[C@H]4C[S]2->[Ru+2]2(<-[NH]3C(=O)N4)<-[NH]3C(=O)N[C@@H]4C[S]->2[C@H](CCCCC(=O)O...
#3 0.02 ± 0.00
O=C1CCCC[C@@H]2[C@H]3[C@H]4C[S]2->[Ru+2]2(<-[NH]3C(=O)N4)<-[NH]3C(=O)N[C@@H]4C[S]->2[C@H](CCCCC(=O)O...
#4 0.00 ± 0.00
O=C1CCCC[C@H]2SC[C@@H]3[C@H]2NC(=O)[NH]3->[Ru+2]<-[NH]2C(=O)N[C@@H]3[C@H]2CS[C@@H]3CCCCC(=O)OCc2ccnc...
#4 0.00 ± 0.00
O=C1CCCC[C@H]2SC[C@@H]3[C@H]2NC(=O)[NH]3->[Ru+2]<-[NH]2C(=O)N[C@@H]3[C@H]2CS[C@@H]3CCCCC(=O)OCc2ccnc...
#4 0.00 ± 0.00
O=C1CCCC[C@H]2SC[C@@H]3[C@H]2NC(=O)[NH]3->[Ru+2]<-[NH]2C(=O)N[C@@H]3[C@H]2CS[C@@H]3CCCCC(=O)OCc2ccnc...