home← all results complex #404

Complex #404 — Ru(3) [Ru-cipro]

GT: {"O": 4, "N": 1} → Top-1: {"S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
9
Candidates
{"O": 4, "N": 1}
Ground Truth
{"S": 1}
Top-1 Prediction
0.000
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#5 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH](->[Ru+3])CC3)c(F)cc2c1=O
#5 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH](->[Ru+3])CC3)c(F)cc2c1=O
#5 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH](->[Ru+3])CC3)c(F)cc2c1=O
#5 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH](->[Ru+3])CC3)c(F)cc2c1=O
#5 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH](->[Ru+3])CC3)c(F)cc2c1=O
#5 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH](->[Ru+3])CC3)c(F)cc2c1=O
#5 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH](->[Ru+3])CC3)c(F)cc2c1=O
#5 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH](->[Ru+3])CC3)c(F)cc2c1=O
#5 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CC[NH](->[Ru+3])CC3)c(F)cc2c1=O
#6 0.00 ± 0.00
O=c1c(C(O)=[O]->[Ru+3])cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12
#6 0.00 ± 0.00
O=c1c(C(O)=[O]->[Ru+3])cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12
#6 0.00 ± 0.00
O=c1c(C(O)=[O]->[Ru+3])cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12
#6 0.00 ± 0.00
O=c1c(C(O)=[O]->[Ru+3])cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12
#6 0.00 ± 0.00
O=c1c(C(O)=[O]->[Ru+3])cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12
#6 0.00 ± 0.00
O=c1c(C(O)=[O]->[Ru+3])cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12
#6 0.00 ± 0.00
O=c1c(C(O)=[O]->[Ru+3])cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12
#6 0.00 ± 0.00
O=c1c(C(O)=[O]->[Ru+3])cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12
#6 0.00 ± 0.00
O=c1c(C(O)=[O]->[Ru+3])cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12
#7 0.00 ± 0.00
O=C([OH]->[Ru+3])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
#7 0.00 ± 0.00
O=C([OH]->[Ru+3])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
#7 0.00 ± 0.00
O=C([OH]->[Ru+3])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
#7 0.00 ± 0.00
O=C([OH]->[Ru+3])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
#7 0.00 ± 0.00
O=C([OH]->[Ru+3])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
#7 0.00 ± 0.00
O=C([OH]->[Ru+3])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
#7 0.00 ± 0.00
O=C([OH]->[Ru+3])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
#7 0.00 ± 0.00
O=C([OH]->[Ru+3])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
#7 0.00 ± 0.00
O=C([OH]->[Ru+3])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
#8 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)[cH]2->[Ru+3])c1=O
#8 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)[cH]2->[Ru+3])c1=O
#8 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)[cH]2->[Ru+3])c1=O
#8 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)[cH]2->[Ru+3])c1=O
#8 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)[cH]2->[Ru+3])c1=O
#8 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)[cH]2->[Ru+3])c1=O
#8 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)[cH]2->[Ru+3])c1=O
#8 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)[cH]2->[Ru+3])c1=O
#8 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)[cH]2->[Ru+3])c1=O
#9 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)[cH](->[Ru+3])c2c1=O
#9 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)[cH](->[Ru+3])c2c1=O
#9 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)[cH](->[Ru+3])c2c1=O
#9 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)[cH](->[Ru+3])c2c1=O
#9 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)[cH](->[Ru+3])c2c1=O
#9 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)[cH](->[Ru+3])c2c1=O
#9 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)[cH](->[Ru+3])c2c1=O
#9 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)[cH](->[Ru+3])c2c1=O
#9 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)[cH](->[Ru+3])c2c1=O