home← all results complex #249

Complex #249 — Ru(2) [2]

GT: {"N": 5, "P": 2} → Top-1: {"N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
55
Candidates
{"N": 5, "P": 2}
Ground Truth
{"N": 1}
Top-1 Prediction
0.970
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.97 ± 0.02
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+2])cn2)cc(C(C)(C)C#N)c1
#1 TOP-1 0.39 ± 0.46
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456[CH]7[CH]3[CH]4[CH]5[CH]76)cn2)cc(C(C)(C)C#N)c1
#1 TOP-1 0.28 ± 0.32
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456(<-[P](c7ccccc7)(c7ccccc7)c7ccccc7)[CH]7[CH]3[CH]4[CH]5[CH]76)cn2)...
#1 TOP-1 0.38 ± 0.49
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456(<-[P](c7ccccc7)(c7ccccc7)c7ccccc7)(<-[P](c7ccccc7)(c7ccccc7)c7ccc...
#2 0.04 ± 0.09
CC1(C)C#[N]->[Ru+2]<-[N]#CC(C)(C)c2cc(Cn3cncn3)cc1c2
#2 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]34<-[cH]5c[cH-][cH]->3[cH]->45)cn2)cc(C(C)(C)C#N)c1
#2 0.18 ± 0.39
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789([CH]%10C=CC=C([CH]%103)P(c3ccccc3)C3=CC=C[CH]4[CH]35)[CH]3[CH]...
#2 0.04 ± 0.07
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789(<-[P](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)([CH]%10C=CC=C([...
#3 0.02 ± 0.02
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#[N]->[Ru+2])c1
#3 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+2]3<-[cH]4cc[cH-][cH]->34)cn2)cc(C(C)(C)C#N)c1
#3 0.11 ± 0.24
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789([CH]%10C=C(P(c%11ccccc%11)c%11ccccc%11)[CH]3[CH]4[CH]%105)[CH]...
#3 0.02 ± 0.04
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789(<-[P](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)([CH]%10C=C(P(c%...
#4 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)[C]2=[N][Ru+2]2)c1
#4 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+2]3<-[cH]4c[cH-]c[cH]->34)cn2)cc(C(C)(C)C#N)c1
#4 0.04 ± 0.10
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]34567([CH]8C=CC=C(P(c9ccccc9)c9ccccc9)[CH]83)[CH]3[CH]4[CH]5[CH]6[CH]3...
#4 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]34567(<-[P](c8ccccc8)(c8ccccc8)c8ccccc8)([CH]8C=CC=C(P(c9ccccc9)c9cccc...
#5 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2cnc[n]2->[Ru+2])cc(C(C)(C)C#N)c1
#5 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+2]<-[cH]3cc[cH-]c3)cn2)cc(C(C)(C)C#N)c1
#5 0.04 ± 0.10
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789([CH]%10C=CC(=C[CH]%103)P(c3ccccc3)C3=CC=C[CH]4[CH]35)[CH]3[CH]...
#5 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789(<-[P](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)([CH]%10C=CC(=C[...
#6 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2cncn2)[cH](->[Ru+2])c(C(C)(C)C#N)c1
#6 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+2]<-[cH]3ccc[cH-]3)cn2)cc(C(C)(C)C#N)c1
#6 0.02 ± 0.03
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]34567([CH]8C=CC(P(c9ccccc9)c9ccccc9)=C[CH]83)[CH]3[CH]4[CH]5[CH]6[CH]3...
#6 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]34567(<-[P](c8ccccc8)(c8ccccc8)c8ccccc8)([CH]8C=CC(P(c9ccccc9)c9ccccc9...
#7 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)[cH]1->[Ru+2]
#7 0.01 ± 0.03
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]34567(<-[cH]8cccc(P(c9ccccc9)c9ccccc9)[cH]->38)[CH]3[CH]4[CH]5[CH]6[CH...
#7 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789(<-[P](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)([CH]%10C=CC(=C[...
#8 0.00 ± 0.01
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789([CH]%10C=CC(=C[CH]%103)P(c3ccccc3)C3=C[CH]4[CH]5C=C3)[CH]3[CH]...
#8 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru]345678(<-[cH]9ccc(P(c%10ccccc%10)c%10ccccc%10)[cH]->3[cH]->49)(<-[P](c3...
#9 0.00 ± 0.01
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789(<-[cH]%10cc(P(c%11ccccc%11)c%11ccccc%11)[cH]->3[cH]->4[cH]->5%...
#9 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456(<-[cH]7ccccc7P(c7ccccc7)c7ccccc7)(<-[P](c7ccccc7)(c7ccccc7)c7cccc...
#10 0.00 ± 0.01
CC(C)(C#N)c1cc(Cn2c[n](->[Ru]345678(<-[cH]9ccc(P(c%10ccccc%10)c%10ccccc%10)[cH]->3[cH]->49)[CH]3[CH]...
#10 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]34567(<-[cH]8cccc(P(c9ccccc9)c9ccccc9)[cH]->38)(<-[P](c3ccccc3)(c3cccc...
#11 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]34567(<-[cH]8ccc(P(c9ccccc9)c9ccccc9)c[cH]->38)[CH]3[CH]4[CH]5[CH]6[CH...
#11 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456789(<-[cH]%10cc(P(c%11ccccc%11)c%11ccccc%11)[cH]->3[cH]->4[cH]->5%...
#12 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru]345678(<-[cH]9cc(P(c%10ccccc%10)c%10ccccc%10)c[cH]->3[cH]->49)[CH]3[CH]...
#12 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru]345678(<-[cH]9cc(P(c%10ccccc%10)c%10ccccc%10)c[cH]->3[cH]->49)(<-[P](c3...
#13 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456(<-[cH]7ccccc7P(c7ccccc7)c7ccccc7)[CH]7[CH]3[CH]4[CH]5[CH]76)cn2)c...
#13 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]34567(<-[cH]8ccc(P(c9ccccc9)c9ccccc9)c[cH]->38)(<-[P](c3ccccc3)(c3cccc...
#14 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9ccccc9P(c9ccccc9)c9ccc[cH]->3[cH]->49)[CH]3[CH]5[CH]6[CH...
#14 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456(<-[cH]7cccc(P(c8ccccc8)c8ccccc8)c7)(<-[P](c7ccccc7)(c7ccccc7)c7cc...
#15 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456(<-[cH]7cccc(P(c8ccccc8)c8ccccc8)c7)[CH]7[CH]3[CH]4[CH]5[CH]76)cn2...
#15 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9ccccc9P(c9ccccc9)c9ccc[cH]->3[cH]->49)(<-[P](c3ccccc3)(c...
#16 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456(<-[cH]7ccc(P(c8ccccc8)c8ccccc8)cc7)[CH]7[CH]3[CH]4[CH]5[CH]76)cn2...
#16 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]3456(<-[cH]7ccc(P(c8ccccc8)c8ccccc8)cc7)(<-[P](c7ccccc7)(c7ccccc7)c7cc...
#17 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9ccccc9P(c9ccccc9)c9cc[cH]->3[cH]->4c9)[CH]3[CH]5[CH]6[CH...
#17 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9ccccc9P(c9ccccc9)c9cc[cH]->3[cH]->4c9)(<-[P](c3ccccc3)(c...
#18 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9ccc(P(c%10ccccc%10)c%10ccc[cH]->3[cH]->4%10)cc9)[CH]3[CH...
#18 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9cccc(P(c%10ccccc%10)c%10ccc[cH]->3[cH]->4%10)c9)(<-[P](c...
#19 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9cccc(P(c%10ccccc%10)c%10ccc[cH]->3[cH]->4%10)c9)[CH]3[CH...
#19 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9ccc(P(c%10ccccc%10)c%10ccc[cH]->3[cH]->4%10)cc9)(<-[P](c...
#20 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9cccc(P(c%10ccccc%10)c%10cc[cH]->3[cH]->4c%10)c9)[CH]3[CH...
#20 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9cccc(P(c%10ccccc%10)c%10cc[cH]->3[cH]->4c%10)c9)(<-[P](c...
#21 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9ccc(P(c%10ccccc%10)c%10cc[cH]->3[cH]->4c%10)cc9)[CH]3[CH...
#21 0.00 ± 0.00
CC(C)(C#N)c1cc(Cn2c[n](->[Ru+]345678(<-[cH]9ccc(P(c%10ccccc%10)c%10cc[cH]->3[cH]->4c%10)cc9)(<-[P](c...