home← all results complex #1023

Complex #1023 — Ru(2) [5]

GT: {"N": 6} → Top-1: {"N": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
50
Candidates
{"N": 6}
Ground Truth
{"N": 2}
Top-1 Prediction
0.990
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.99 ± 0.01
c1ccc2cc3nc4c5ccc[n]6->[Ru+2]<-[n]7cccc(c4nc3cc2c1)c7c56
#2 0.46 ± 0.16
c1ccc2cc3c(cc2c1)[n]1->[Ru+2]<-[n]3c2c3cccnc3c3ncccc3c21
#3 0.21 ± 0.29
c1ccc2cc3c(cc2c1)[n]1->[Ru+2]24<-[n]5cccc6c5c5c(ccc[n]->25)c(c61)[n]->43
#4 0.04 ± 0.03
[Ru+2]<-[n]1cccc2c3nc4cc5ccccc5cc4nc3c3cccnc3c21
#5 0.03 ± 0.02
c1ccc2cc3c(cc2c1)[n]1->[Ru+2]2<-[n]4cccc5c4c4ncccc4c1c5[n]->23
#6 0.01 ± 0.02
[Ru+2]<-[n]1c2cc3ccccc3cc2nc2c3cccnc3c3ncccc3c21
#7 0.01 ± 0.01
c1ccc2cc3c(cc2c1)nc1c2ccc[n]4->[Ru+2]5<-[n]6cccc(c6c24)c1[n]->53
#8 0.01 ± 0.01
c1ccc2cc3c(cc2c1)nc1c2cccnc2c2c4ccc[n]2->[Ru+2]<-[n]3c41
#9 0.00 ± 0.00
c1ccc2cc3c(cc2c1)nc1c2ccc[n]4->[Ru+2]<-[n]3c1c1cccnc1c24
#10 0.00 ± 0.00
C1=C[CH]2[Ru+2][CH]2c2cc3nc4c5cccnc5c5ncccc5c4nc3cc21
#11 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4cc[cH]5->[Ru+2]6<-[cH]5c4cc3nc1c1ccc[n]->6c12
#12 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c5cc[cH]6->[Ru+2](<-[cH]46)<-[n]4cccc(c1nc3c5)c24
#13 0.00 ± 0.00
C1=Nc2c(c3nc4cc5ccccc5cc4nc3c3cccnc23)[CH]2[Ru+2][CH]12
#14 0.00 ± 0.00
C1=c2cc3nc4c5cccnc5c5ncccc5c4nc3cc2=C[CH]2[Ru+2][CH]12
#15 0.00 ± 0.00
c1ccc2cc3nc4c(nc3cc2c1)c1ccc[n]2->[Ru+2]3<-[cH]5cnc(c4[cH]->35)c12
#16 0.00 ± 0.00
c1cnc2c(c1)c1nc3c[c]45->[Ru+2]6789<-[cH]([cH]->6[cH]->7[c]->84cc3nc1c1cccnc12)[cH]->95
#17 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4cc[cH]5->[Ru+2]<-[cH]5c4cc3nc1c1cccnc12
#18 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c[cH]5->[Ru+2]6<-[cH]5cc4cc3nc1c1ccc[n]->6c12
#19 0.00 ± 0.00
c1ccc2cc3c(cc2c1)nc1c2cccnc2c2nc[cH]4->[Ru+2]5<-[cH]4c2c1[n]->53
#20 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4cc[cH]5->[Ru+2]6<-[cH]5c4cc3[n]->6c1c1cccnc12
#21 0.00 ± 0.00
c1ccc2cc3nc4c(nc3cc2c1)c1cccnc1c1nc[cH]2->[Ru+2]<-[cH]2c14
#22 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c5cc[cH]6->[Ru+2](<-[cH]46)<-[n](c3c5)c1c1cccnc12
#23 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c[cH]5->[Ru+2]<-[cH]5cc4cc3nc1c1cccnc12
#24 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c(cc3nc1c1cccnc12)[CH]1[CH]2[CH]3[CH]4[Ru+2]132
#25 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c[cH]5->[Ru+2]6<-[cH]5cc4cc3[n]->6c1c1cccnc12
#26 0.00 ± 0.00
c1ccc2cc3c(cc2c1)nc1c2c4nc[cH]5->[Ru+2](<-[cH]25)<-[n]3c1c1cccnc14
#27 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c[cH]5->[Ru+]6<-[cH](c4cc3nc1c1cccnc12)[cH]->65
#28 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c(cc3nc1c1cccnc12)[cH]1->[Ru+2]23<-[cH]4[cH]->2[cH]->31
#29 0.00 ± 0.00
c1cnc2c(c1)c1nc3c[c]45->[Ru+2]<-[c]4(cccc5)cc3nc1c1cccnc12
#30 0.00 ± 0.00
c1ccc2c(c1)cc1nc3c4cccnc4c4nc[cH]5->[Ru+2]6<-[cH]2c1nc3c4[cH]->65
#31 0.00 ± 0.00
c1ccc2c(c1)cc1nc3c4nc1[cH]2->[Ru+2]1<-[cH]2cnc(c5ncccc54)c3[cH]->12
#32 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c5ccc[cH]4->[Ru+2]4<-[cH]6cnc2c(c1nc3c5)[cH]->46
#33 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4ccc[cH]5->[Ru+2]6<-[cH]7cnc2c(c1nc3cc45)[cH]->67
#34 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c5cc[cH]6->[Ru+2](<-[cH]5c3nc1c1cccnc12)<-[cH]46
#35 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c[cH]5->[Ru+2]6<-[cH](c4c[cH]->65)c3nc1c1cccnc12
#36 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4cc[cH]5->[Ru+2]6<-[cH]7ccnc2c7c1nc3cc4[cH]->65
#37 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c5cc[cH]6->[Ru+2](<-[cH]7ccnc2c7c1nc3c5)<-[cH]46
#38 0.00 ± 0.00
c1ccc2cc3nc4c(nc3cc2c1)c1c2ncc[cH]1->[Ru+2]1<-[cH]3cnc2c4[cH]->13
#39 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c5cc[cH]6->[Ru+2](<-[cH]7cnc2c(c7)c1nc3c5)<-[cH]46
#40 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4cc[cH]5->[Ru+2]6<-[cH]7cnc2c(c7)c1nc3cc4[cH]->65
#41 0.00 ± 0.00
[Ru+2]<-[cH]1cccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc21
#42 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4cc[cH]5->[Ru+2]6<-[cH]7cnc2c(c1nc3cc4c5)[cH]->67
#43 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c[cH]5->[Ru+2]6<-[cH]7cnc2c(c1nc3cc4cc5)[cH]->67
#44 0.00 ± 0.00
c1ccc2cc3nc4c(nc3cc2c1)c1c[cH]2->[Ru+2]3<-[cH]5cnc(c1nc2)c4[cH]->35
#45 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c[cH]5->[Ru+2]6<-[cH]7ccnc2c7c1nc3cc4c[cH]->65
#46 0.00 ± 0.00
[Ru+2]<-[cH]1cnc2c(c1)c1nc3cc4ccccc4cc3nc1c1cccnc12
#47 0.00 ± 0.00
[Ru+2]<-[cH]1c2ccccc2cc2nc3c4cccnc4c4ncccc4c3nc21
#48 0.00 ± 0.00
c1cnc2c(c1)c1nc3cc4c[cH]5->[Ru+2]6<-[cH]7cnc2c(c7)c1nc3cc4c[cH]->65
#49 0.00 ± 0.00
[Ru+2]<-[cH]1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
#50 0.00 ± 0.00
[Ru+2]<-[cH]1ccnc2c3ncccc3c3nc4cc5ccccc5cc4nc3c21