Rank

Name

IUPAC name

Score

Conformation

1

F0554-0055

N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide

98.41

1

2

F3407-4949

1-(4-(4-chlorophenyl)piperazin-1-yl)-2-(5-((2-methoxyphenyl)amino)-1,3,4-thiadiazol-2-yl)ethanone

98.26

2

3

F3382-3282

N-(2,6-dimethylphenyl)-2-(3-(4-fluorobenzyl)-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl)acetamide

97.95

2

4

F3382-6099

2-(5-amino-3-(ethylamino)-4-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)-N-benzylacetamide

97.37

2

5

F3382-1309

N-cyclohexyl-2-(3-(4-methoxybenzyl)-4-oxo-3H-pyrimido[5,4-b]indol-5(4H)-yl)acetamide

95.69

2

6

F3382-0379

5-((2-(2-ethoxyphenyl)-5-methyloxazol-4-yl)methyl)-2-(p-tolyl)pyrazolo[1,5-a]pyrazin-4(5H)-one

95.59

1

7

F3382-7502

N-(2-(1H-indol-3-yl)ethyl)-3-(7-methyl-4-oxo-3,4,5,6,7,8- hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide

95.58

2

8

F6089-1853

N-(2-(2-(3-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)- 1-methyl-3-phenyl-1H-pyrazole-5-carboxamide

95.36

1

9

F5253-0280

N-(3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)propyl)-1H-indazole-3-carboxamide

95.03

2

10

F5485-0615

N-(2-(1H-indol-3-yl)ethyl)-2-(2-((2-fluorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)acetamide

94.46

1

11

F2471-0720

N-(2-chlorobenzyl)-2-(5-((2-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)acetamide

94

2

12

F6089-8342

Phenyl 4-((3-benzhydrylureido)methyl)piperidine-1-carboxylate

93.63

1

13

F2605-0233

2-(4-ethoxyphenyl)-N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]acetamide

93.62

2

14

F3406-0517

N-(2-(cyclohex-1-en-1-yl)ethyl)-2-(3-oxo-6-(p-tolylthio)- [1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide

93.42

1

15

F2902-1688

2-(2-fluorophenoxy)-N-(2-(4-(phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)acetamide

93.41

1