home← all results complex #315

Complex #315 — Ru(2) [RuL2]

GT: {"N": 4} → Top-1: {"N": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
54
Candidates
{"N": 4}
Ground Truth
{"N": 2}
Top-1 Prediction
0.890
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.89 ± 0.13
COc1cccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)c1O
#1 TOP-1 0.00 ± 0.00
COc1cccc(-c2nc3c4ccc[n]5->[Ru+2]6(<-[cH]7c(C)ccc(C(C)C)[cH]->67)<-[n]6cccc(c3[nH]2)c6c45)c1O
#2 0.09 ± 0.07
COc1cccc(-c2[nH]c3c4ccc[n]5->[Ru+2]6<-[n]7cccc(c7c45)c3[n]->62)c1O
#2 0.00 ± 0.00
COc1cccc(-c2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11[cH]->6[c]->7(C(C)C)[cH]->8[cH]->9[c]->%10%11C)<-[n...
#3 0.04 ± 0.03
COc1cccc(-c2nc3c4cccnc4c4c(ccc[n]4->[Ru+2])c3[nH]2)c1O
#3 0.00 ± 0.00
COc1cccc(-c2nc3c4ccc[n]5->[Ru+2](<-[cH]6cc(C)ccc6C(C)C)<-[n]6cccc(c3[nH]2)c6c45)c1O
#4 0.02 ± 0.02
COc1cccc(-c2[nH]c3c4ccc[n]5->[Ru+2]<-[n]2c3c2cccnc2c45)c1O
#4 0.00 ± 0.00
COc1cccc(-c2nc3c4ccc[n]5->[Ru+2](<-[cH]6cc(C(C)C)ccc6C)<-[n]6cccc(c3[nH]2)c6c45)c1O
#5 0.02 ± 0.02
COc1cccc(-c2[nH]c3c4cccnc4c4c5ccc[n]4->[Ru+2]<-[n]2c53)c1O
#6 0.01 ± 0.02
COc1cccc(-c2nc3c4ccc[n](->[Ru+2])c4c4ncccc4c3[nH]2)c1O
#7 0.01 ± 0.01
COc1cccc(-c2[nH]c3c4cccnc4c4ncccc4c3[n]2->[Ru+2])c1O
#8 0.00 ± 0.00
COc1cccc(-c2nc3c([nH]2)c2c(c4ncccc43)N=C[CH]3[Ru+2][CH]23)c1O
#9 0.00 ± 0.00
COc1c(O)c2-c3nc4c5cccnc5c5c(ccc[n]5->[Ru+2]5<-[cH](c2)[cH]->51)c4[nH]3
#10 0.00 ± 0.00
COc1cccc(-c2nc3c4c(c5ncccc5c3[nH]2)N=C[CH]2[Ru+2][CH]42)c1O
#11 0.00 ± 0.00
COc1cccc(-c2nc3c([nH]2)c2ccc[n]4->[Ru+2]5<-[cH]6cnc(c3[cH]->56)c24)c1O
#12 0.00 ± 0.00
COc1cccc(-c2nc3c4ccc[n]5->[Ru+2]6<-[cH]7cnc(c(c3[nH]2)[cH]->67)c45)c1O
#13 0.00 ± 0.00
COc1c(O)c2-c3[nH]c4c5cccnc5c5ncccc5c4[n]3->[Ru+2]3<-[cH](c2)[cH]->31
#14 0.00 ± 0.00
COc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1[OH]->[Ru+2]
#15 0.00 ± 0.00
COc1cccc(-c2[nH]c3c4cccnc4c4nc[cH]5->[Ru+2]6<-[cH]5c4c3[n]->62)c1O
#16 0.00 ± 0.00
COc1cccc(-c2[nH]c3c4c5nc[cH]6->[Ru+2](<-[cH]46)<-[n]2c3c2cccnc25)c1O
#17 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]2c(-c2nc4c5cccnc5c5c(ccc[n]->35)c4[nH]2)c1O
#18 0.00 ± 0.00
COc1cccc(-c2nc3c4cccnc4c4nc[cH]5->[Ru+2]<-[cH]5c4c3[nH]2)c1O
#19 0.00 ± 0.00
COc1c(O)c2-c3nc4c5ccc[n](->[Ru+2]6<-[cH](c2)[cH]->61)c5c1ncccc1c4[nH]3
#20 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]2c(-c2[nH]c4c5cccnc5c5ncccc5c4[n]->32)c1O
#21 0.00 ± 0.00
COc1c(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c[cH]2->[Ru+2]<-[cH]12
#22 0.00 ± 0.00
COc1cccc(-c2nc3c([nH]2)c2cccnc2c2nc[cH]4->[Ru+2]<-[cH]4c23)c1O
#23 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]2c(-c2nc4c5ccc[n]->3c5c3ncccc3c4[nH]2)c1O
#24 0.00 ± 0.00
COc1c[cH]2->[Ru+2]<-[cH]2c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O
#25 0.00 ± 0.00
COc1c(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)[cH]2->[Ru+]3<-[cH]1[cH]->32
#26 0.00 ± 0.00
COc1c(O)c2-c3nc4c5cccnc5c5nc[cH]6->[Ru+2](<-[cH]1cc2)<-[cH]6c5c4[nH]3
#27 0.00 ± 0.00
COc1cccc(-c2nc3c([nH]2)c2c4nc[cH]5->[Ru+2](<-[cH]6ccnc4c36)<-[cH]25)c1O
#28 0.00 ± 0.00
COc1c(O)c2-c3nc4c5cccnc5c5ncc[cH](->[Ru+2]6<-[cH](c2)[cH]->61)c5c4[nH]3
#29 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6nc(-c(c2)c1O)[nH]c6c5[cH]->34
#30 0.00 ± 0.00
COc1cccc(-c2nc3c4c[cH]5->[Ru+2]6<-[cH]7cnc(c4nc5)c(c3[nH]2)[cH]->67)c1O
#31 0.00 ± 0.00
COc1cc[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6nc(-c2c1O)[nH]c6c5[cH]->34
#32 0.00 ± 0.00
COc1c(O)c2-c3nc4c([nH]3)c3cccnc3c3ncc[cH](->[Ru+2]5<-[cH](c2)[cH]->51)c34
#33 0.00 ± 0.00
COc1c(O)c2-c3nc4c([nH]3)c3cccnc3c3nc[cH]5->[Ru+2](<-[cH]1cc2)<-[cH]5c34
#34 0.00 ± 0.00
COc1cccc(-c2nc3c([nH]2)c2c4ncc[cH]2->[Ru+2]2<-[cH]5cnc4c3[cH]->25)c1O
#35 0.00 ± 0.00
COc1c(O)c2-c3nc4c5cccnc5c5nc[cH](->[Ru+2]6<-[cH](c2)[cH]->61)cc5c4[nH]3
#36 0.00 ± 0.00
COc1c(O)c2-c3nc4c5c[cH](->[Ru+2]6<-[cH](c2)[cH]->61)cnc5c1ncccc1c4[nH]3
#37 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]4ccnc5c6ncccc6c6nc(-c(c1O)[cH]->32)[nH]c6c54
#38 0.00 ± 0.00
COc1cccc(-c2nc3c([nH]2)c2c[cH]4->[Ru+2]5<-[cH]6cnc(c2nc4)c3[cH]->56)c1O
#39 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6[nH]c(-c(c2)c1O)nc6c5[cH]->34
#40 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]4ccnc5c6ncccc6c6[nH]c(-c(c1O)[cH]->32)nc6c54
#41 0.00 ± 0.00
COc1c(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc[cH]1->[Ru+2]
#42 0.00 ± 0.00
COc1cccc(-c2nc3c4c[cH](->[Ru+2])cnc4c4ncccc4c3[nH]2)c1O
#43 0.00 ± 0.00
COc1cc[cH]2->[Ru+2]3<-[cH]4cnc5c6ncccc6c6[nH]c(-c2c1O)nc6c5[cH]->34
#44 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]4cnc5c(c4)c4[nH]c(-c(c1O)[cH]->32)nc4c1cccnc15
#45 0.00 ± 0.00
COc1c[cH]2->[Ru+2]3<-[cH]4cnc5c(c4)c4nc(-c(c1O)[cH]->32)[nH]c4c1cccnc15
#46 0.00 ± 0.00
COc1cccc(-c2nc3c4cccnc4c4nc[cH](->[Ru+2])cc4c3[nH]2)c1O
#47 0.00 ± 0.00
COc1c[cH](->[Ru+2])cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O
#48 0.00 ± 0.00
COc1cccc(-c2nc3c4cccnc4c4ncc[cH](->[Ru+2])c4c3[nH]2)c1O
#49 0.00 ± 0.00
COc1cccc(-c2nc3c([nH]2)c2cccnc2c2ncc[cH](->[Ru+2])c23)c1O
#50 0.00 ± 0.00
COc1cc[cH](->[Ru+2])c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O