home← all results complex #203

Complex #203 — Ru(2) [1]

GT: {"N": 7} → Top-1: {"N": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
50
Candidates
{"N": 7}
Ground Truth
{"N": 2}
Top-1 Prediction
1.000
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 1.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]<-[N]=3N2)cc1
#1 TOP-1 0.69 ± 0.34
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]4(<-[N]=3N2)<-[n]2c(C)ccc3ccc5ccc(C)[n]->4c5c32)cc1
#1 TOP-1 0.96 ± 0.09
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[N]=3N2)(<-[n]2c(C)ccc3ccc6ccc(C)[n]->4c6c32)<-[n]2c(C)ccc3ccc4c...
#2 0.00 ± 0.00
COc1ccc(C2CC(c3cccc[n]3->[Ru+2])=NN2)cc1
#2 0.23 ± 0.22
COc1ccc(C2CC3c4cccc[n]4->[Ru+2](<-[N]=3N2)<-[n]2c(C)ccc3ccc4ccc(C)nc4c32)cc1
#2 0.52 ± 0.44
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[N]=3N2)(<-[n]2c(C)ccc3ccc6ccc(C)[n]->4c6c32)<-[n]2c3c(ccc4ccc(C...
#3 0.00 ± 0.00
COc1ccc(C2CC(c3ccccn3)=[N](->[Ru+2])N2)cc1
#3 0.13 ± 0.26
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]4(<-[N]=3N2)<-[n]2c3c(ccc5ccc(C)nc53)cc[c]->42C)cc1
#3 0.51 ± 0.46
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]4(<-[N]=3N2)(<-[n]2c(C)ccc3ccc5ccc(C)nc5c32)<-[n]2c(C)ccc3ccc5ccc(C)[...
#4 0.00 ± 0.00
COc1ccc(C2CC(c3ccccn3)=NN2)[cH]2->[Ru+2]<-[cH]12
#4 0.02 ± 0.02
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[cH]6c7ccc(C)nc7c7c(ccc(C)[n]->47)[cH]->56)<-[N]=3N2)cc1
#4 0.50 ± 0.39
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]456(<-[cH]7c8ccc(C)nc8c8c(ccc(C)[n]->48)[cH]->57)(<-[N]=3N2)<-[n]2c(C...
#5 0.00 ± 0.00
COc1ccc(C2CC(c3ncc[cH]4->[Ru+2]<-[cH]34)=NN2)cc1
#5 0.01 ± 0.02
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[cH]6c(C)nc7c(ccc8ccc(C)[n]->4c87)[cH]->56)<-[N]=3N2)cc1
#5 0.48 ± 0.38
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]456(<-[cH]7c(C)nc8c(ccc9ccc(C)[n]->4c98)[cH]->57)(<-[N]=3N2)<-[n]2c(C...
#6 0.00 ± 0.00
COc1ccc(C2CC(c3c[cH]4->[Ru+2]<-[cH]4cn3)=NN2)cc1
#6 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]4(<-[cH]5c6ccc(C)nc6c6nc(C)ccc6[cH]->45)<-[N]=3N2)cc1
#6 0.22 ± 0.30
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[cH]6c(C)nc7c8nc(C)ccc8ccc7[cH]->46)(<-[N]=3N2)<-[n]2c(C)ccc3ccc...
#7 0.00 ± 0.00
COc1ccc(C2CC([c]34->[Ru+2]<-[n]3cccc4)=NN2)cc1
#7 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]4(<-[cH]5c(C)nc6c7nc(C)ccc7ccc6[cH]->45)<-[N]=3N2)cc1
#7 0.13 ± 0.12
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[cH]6c7ccc(C)nc7c7nc(C)ccc7[cH]->46)(<-[N]=3N2)<-[n]2c(C)ccc3ccc...
#8 0.00 ± 0.00
COc1ccc(C2CC(c3nc[cH]4->[Ru+]5<-[cH]3[cH]->54)=NN2)cc1
#8 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[cH]6cc7c(nc(C)[cH]->4[cH]->57)c4nc(C)ccc46)<-[N]=3N2)cc1
#8 0.04 ± 0.08
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]456(<-[cH]7cc8ccc9c(nc(C)[cH]->4[cH]->59)c8nc7C)(<-[N]=3N2)<-[n]2c(C)...
#9 0.00 ± 0.00
COc1ccc2C3CC(c4cccc[n]4->[Ru+2]4<-[cH]1[cH]->42)=NN3
#9 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[cH]6cc(C)nc7c8nc(C)[cH]->4[cH]->5c8ccc76)<-[N]=3N2)cc1
#9 0.01 ± 0.02
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]456(<-[cH]7cc8c(nc7C)c7nc(C)ccc7[cH]->4[cH]->58)(<-[N]=3N2)<-[n]2c(C)...
#10 0.00 ± 0.00
COc1ccc(C2CC(C3=C[CH]4[Ru+2][CH]4C=N3)=NN2)cc1
#10 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[cH]6cc7c(nc6C)c6nc(C)ccc6[cH]->4[cH]->57)<-[N]=3N2)cc1
#10 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]456(<-[cH]7cc8c(nc(C)[cH]->4[cH]->58)c4nc(C)ccc47)(<-[N]=3N2)<-[n]2c(...
#11 0.00 ± 0.00
COc1ccc(C2CC(c3cc[cH](->[Ru+2])cn3)=NN2)cc1
#11 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[cH]6cc7ccc8c(nc(C)[cH]->4[cH]->58)c7nc6C)<-[N]=3N2)cc1
#11 0.00 ± 0.01
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]456(<-[cH]7cc(C)nc8c9nc(C)[cH]->4[cH]->5c9ccc87)(<-[N]=3N2)<-[n]2c(C)...
#12 0.00 ± 0.00
COc1ccc(C2CC(c3nccc[cH]3->[Ru+2])=NN2)cc1
#12 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2](<-[cH]4cc5ccc(C)nc5c5nc(C)ccc54)<-[N]=3N2)cc1
#12 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]4(<-[cH]5cc(C)nc6c7nc(C)ccc7ccc65)(<-[N]=3N2)<-[n]2c(C)ccc3ccc5ccc(C)...
#13 0.00 ± 0.00
COc1ccc2C3CC(c4c[cH]5->[Ru+2](<-[cH]1c2)<-[cH]5cn4)=NN3
#13 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2](<-[cH]4cc5ccc6ccc(C)nc6c5nc4C)<-[N]=3N2)cc1
#13 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]4(<-[cH]5cc6ccc(C)nc6c6nc(C)ccc65)(<-[N]=3N2)<-[n]2c(C)ccc3ccc5ccc(C)...
#14 0.00 ± 0.00
COc1ccc2C3CC(c4ncc[cH]5->[Ru+2](<-[cH]1c2)<-[cH]45)=NN3
#14 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2](<-[cH]4cc(C)nc5c6nc(C)ccc6ccc54)<-[N]=3N2)cc1
#14 0.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]4(<-[cH]5cc6ccc7ccc(C)nc7c6nc5C)(<-[N]=3N2)<-[n]2c(C)ccc3ccc5ccc(C)[n...
#15 0.00 ± 0.00
COc1ccc2C3CC(c4cc[cH](->[Ru+2]5<-[cH]1[cH]->52)cn4)=NN3
#16 0.00 ± 0.00
COc1ccc(C2CC(c3ccccn3)=NN2)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
COc1ccc2C3CC(c4nccc[cH]4->[Ru+2]4<-[cH]1[cH]->42)=NN3
#18 0.00 ± 0.00
COc1ccc2C3CC(c4c[cH](->[Ru+2]5<-[cH]1[cH]->52)ccn4)=NN3
#19 0.00 ± 0.00
COc1ccc2C3CC(c4c[cH]5->[Ru+2](<-[cH]2c1)<-[cH]5cn4)=NN3
#20 0.00 ± 0.00
COc1ccc2C3CC(c4ncc[cH]5->[Ru+2](<-[cH]2c1)<-[cH]45)=NN3
#21 0.00 ± 0.00
COc1ccc(C2CC(c3ccccn3)=NN2)[cH](->[Ru+2])c1
#22 0.00 ± 0.00
COc1ccc(C2CC(c3c[cH](->[Ru+2])ccn3)=NN2)cc1