Compounds

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2286201

Name:
N-tert-butyl-6-fluoro-7-(2,4,6-trifluorophenyl)pyr
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Mol. Formula:
C17H14F4N4

M.W.:
350.32

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2286200

Name:
N-sec-butyl-6-fluoro-7-(2,4,6-trifluorophenyl)pyri
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Mol. Formula:
C17H14F4N4

M.W.:
350.32

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2286197

Name:
(S)-6-fluoro-7-(2,4,6-trifluorophenyl)-N-(1,1,1-tr
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Mol. Formula:
C16H9F7N4

M.W.:
390.26

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2286196

Name:
6-fluoro-N-(2,2,2-trifluoroethyl)-7-(2,4,6-trifluo
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Mol. Formula:
C15H7F7N4

M.W.:
376.24

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2286193

Name:
7-(5-chloro-3-fluoropyridin-2-yl)-N-isobutyl-6-met
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Mol. Formula:
C17H17ClFN5O

M.W.:
361.81

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
72.82

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2286188

Name:
(R)-6-methoxy-N-(3-methylbutan-2-yl)-7-(2,4,6-trif
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Cas Number:
1283075-65-9

Mol. Formula:
C19H19F3N4O

M.W.:
376.38

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
59.93

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2286186

Name:
(R)-6-fluoro-N-(3-methylbutan-2-yl)-7-(2,4,6-trifl
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Mol. Formula:
C18H16F4N4

M.W.:
364.35

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2286184

Name:
(S)-methyl 2-(6-fluoro-7-(2,4,6-trifluorophenyl)py
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Mol. Formula:
C19H16F4N4O2

M.W.:
408.36

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
77.00

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2252701

Name:
2-(4-methyl-1,2,3-thiadiazol-5-yl)-5-(5-methylthio
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Mol. Formula:
C10H8N4OS2

M.W.:
264.34

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
64.70

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2252700

Name:
2-(2-chloro-6-methylpyridin-3-yl)-5-(4-methyl-1,2,
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Mol. Formula:
C11H8ClN5OS

M.W.:
293.74

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
77.59

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2252699

Name:
2-(1-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl)-5-
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Mol. Formula:
C17H15ClN6OS

M.W.:
386.87

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
82.52

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2252698

Name:
5-(5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,3,4-oxadia
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Mol. Formula:
C10H7N5O2S

M.W.:
261.27

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
97.56

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2252697

Name:
2-(4-methyl-1,2,3-thiadiazol-5-yl)-5-(5-methyl-2-p
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Mol. Formula:
C14H11N7OS

M.W.:
325.36

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
95.41

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2252696

Name:
2-(3-methoxyphenyl)-5-(4-methyl-1,2,3-thiadiazol-5
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Mol. Formula:
C12H10N4O2S

M.W.:
274.31

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
73.93

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2252695

Name:
2-(4-methyl-1,2,3-thiadiazol-5-yl)-5-m-tolyl-1,3,4
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Mol. Formula:
C12H10N4OS

M.W.:
258.31

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
64.70

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2252694

Name:
2-(4-methoxyphenyl)-5-(4-methyl-1,2,3-thiadiazol-5
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Mol. Formula:
C12H10N4O2S

M.W.:
274.31

19 activity values

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
73.93

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2252693

Name:
2-(4-methyl-1,2,3-thiadiazol-5-yl)-5-p-tolyl-1,3,4
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Mol. Formula:
C12H10N4OS

M.W.:
258.31