home← all results complex #339

Complex #339 — Ru(2) [Ru1]

GT: {"N": 6} → Top-1: {"N": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
63
Candidates
{"N": 6}
Ground Truth
{"N": 2}
Top-1 Prediction
0.960
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.96 ± 0.05
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]<-[n]4cccc1c4c23
#1 TOP-1 0.09 ± 0.16
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[n]5ccccc5-c5cccc[n]->45)<-[n]4cccc1c4c23
#1 TOP-1 0.17 ± 0.37
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)(<-[n]4ccccc4-c4cccc[n]->54)...
#2 0.16 ± 0.17
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2](<-[n]1c(O)c(F)c2)<-[n]1cccc3c1c45
#2 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)[CH]1C=NC(c2ccccn2)=C[CH]14
#2 0.01 ± 0.02
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+]456(<-[cH]7cnc(-c8ccccn8)[cH]->4[cH]->57)(<-[n]4ccccc4-c4cc...
#3 0.02 ± 0.01
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]<-[n]1c(O)c(F)c2)c4c1ncccc31
#3 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+]45(<-[cH]6cnc(-c7ccccn7)[cH]->4[cH]->56)<-[n]4cccc1c4c23
#3 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)(<-[n]4cccc1c4c23)[CH]1C=NC(...
#4 0.01 ± 0.01
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]
#4 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2](<-[n]4ccccc4-c4ccccn4)<-[n]4cccc1c4c23
#4 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7ccnc(-c8cccc[n]->48)[cH]->57)(<-[n]4ccccc4-c4cc...
#5 0.01 ± 0.01
O=c1n2CCCCCNc3cc4cccnc4c4c3ccc[n]4->[Ru+2]<-[n]1c(O)c(F)c2
#5 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6ccnc(-c7cccc[n]->47)[cH]->56)<-[n]4cccc1c4c23
#5 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[n]5ccccc5-c5ccccn5)(<-[n]5ccccc5-c5cccc[n]->45)<-[n]4...
#6 0.01 ± 0.01
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]
#6 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6cnc(-c7cccc[n]->47)c[cH]->56)<-[n]4cccc1c4c23
#6 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7cnc(-c8cccc[n]->48)c[cH]->57)(<-[n]4ccccc4-c4cc...
#7 0.01 ± 0.01
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n](->[Ru+2])c2c2ncccc12
#7 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5ccnc(-c6ccccn6)[cH]->45)<-[n]4cccc1c4c23
#7 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6ccnc(-c7ccccn7)[cH]->46)(<-[n]4ccccc4-c4cccc[n]-...
#8 0.00 ± 0.01
Oc1c(F)cn(CCCCCNc2cc3cccnc3c3ncccc23)c2=[O]->[Ru+2]<-[n]12
#8 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5cnc(-c6ccccn6)c[cH]->45)<-[n]4cccc1c4c23
#8 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6cnc(-c7ccccn7)c[cH]->46)(<-[n]4ccccc4-c4cccc[n]-...
#9 0.00 ± 0.00
Oc1nc(=[O]->[Ru+2])n(CCCCCNc2cc3cccnc3c3ncccc23)cc1F
#9 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2](<-[cH]4ccc(-c5ccccn5)nc4)<-[n]4cccc1c4c23
#9 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7cccnc7-c7ncc[cH]->4[cH]->57)(<-[n]4ccccc4-c4ccc...
#10 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCC[NH](->[Ru+2])c1cc2cccnc2c2ncccc12
#10 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6cccnc6-c6ncc[cH]->4[cH]->56)<-[n]4cccc1c4c23
#10 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5cccnc5-c5ccccn5)(<-[n]5ccccc5-c5cccc[n]->45)<-[n]...
#11 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1[CH]1[Ru+2][CH]1C=N2
#11 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2](<-[cH]4cccnc4-c4ccccn4)<-[n]4cccc1c4c23
#11 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7cccnc7-c7c[cH]->4[cH]->5cn7)(<-[n]4ccccc4-c4ccc...
#12 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c(c3ncccc13)N=C[CH]1[Ru+2][CH]21
#12 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2](<-[cH]4ccnc(-c5ccccn5)c4)<-[n]4cccc1c4c23
#12 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7ccc(-c8ncc[cH]->4[cH]->58)nc7)(<-[n]4ccccc4-c4c...
#13 0.00 ± 0.00
O=c1n2CCCCCNc3cc4c(nc[cH]5->[Ru+2](<-[cH]45)<-[n]1c(O)c(F)c2)c1ncccc31
#13 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6cccnc6-c6c[cH]->4[cH]->5cn6)<-[n]4cccc1c4c23
#13 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7ccc(-c8c[cH]->4[cH]->5cn8)nc7)(<-[n]4ccccc4-c4c...
#14 0.00 ± 0.00
O=c1n2CCCCCNc3cc4cccnc4c4nc[cH]5->[Ru+2](<-[cH]5c34)<-[n]1c(O)c(F)c2
#14 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6ccc(-c7ncc[cH]->4[cH]->57)nc6)<-[n]4cccc1c4c23
#14 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7ccnc(-c8ncc[cH]->4[cH]->58)c7)(<-[n]4ccccc4-c4c...
#15 0.00 ± 0.00
O=c1nc([OH]->[Ru+2])c(F)cn1CCCCCNc1cc2cccnc2c2ncccc12
#15 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6ccc(-c7c[cH]->4[cH]->5cn7)nc6)<-[n]4cccc1c4c23
#15 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7ccnc(-c8c[cH]->4[cH]->5cn8)c7)(<-[n]4ccccc4-c4c...
#16 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4<-[cH]5cnc(c1[cH]->45)c23
#16 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6ccnc(-c7ncc[cH]->4[cH]->57)c6)<-[n]4cccc1c4c23
#16 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5ccc(-c6ccccn6)nc5)(<-[n]5ccccc5-c5cccc[n]->45)<-[...
#17 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c(nc[cH]3->[Ru+2]<-[cH]23)c2ncccc12
#17 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6ccnc(-c7c[cH]->4[cH]->5cn7)c6)<-[n]4cccc1c4c23
#17 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5ccnc(-c6ccccn6)c5)(<-[n]5ccccc5-c5cccc[n]->45)<-[...
#18 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c3nc[cH]4->[Ru+2](<-[cH]24)<-[n]2cccc1c32
#19 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2nc[cH]3->[Ru+2]<-[cH]3c12
#20 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1c2c3nc[cH]4->[Ru+2](<-[cH]1c1cccnc31)<-[cH]24
#21 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1c2cccnc2c2ncccc2[cH]1->[Ru+2]
#22 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c3nc[cH]4->[Ru+2](<-[cH]5ccnc3c15)<-[cH]24
#23 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c3nc[cH]4->[Ru+2](<-[cH]5cnc3c1c5)<-[cH]24
#24 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c3ncc[cH]2->[Ru+2]2<-[cH]4cnc3c1[cH]->24
#25 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c[cH]3->[Ru+2]4<-[cH]5cnc(c2nc3)c1[cH]->45
#26 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c[cH](->[Ru+2])cnc2c2ncccc12
#27 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2nc[cH](->[Ru+2])cc12
#28 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2ncc[cH](->[Ru+2])c12
#29 0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c(ncc[cH]2->[Ru+2])c2ncccc12