Compounds

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
120.90

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4874677

Name:
4-(1-(5-acetylpyridin-2-yl)-5-hydroxy-1H-pyrazol-4-yl)benzonitrile

Mol. Formula:
C17H12N4O2

M.W.:
304.31

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
91.80

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4867184

Name:
4-(5-hydroxy-1-(5-(methylsulfonyl)pyridin-2-yl)-1H-pyrazol-4-yl)benzonitrilShow More⌵

Mol. Formula:
C16H12N4O3S

M.W.:
340.36

Type:
Unknown

AlogP:
1.92

Polar Surface Area:
108.87

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4862940

Name:
4-(5-hydroxy-1-(5-(2-oxopyrrolidin-1-yl)pyridin-2-yl)-1H-pyrazol-4-yl)benzoShow More⌵

Mol. Formula:
C19H15N5O2

M.W.:
345.36

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
95.04

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4858351

Name:
N-(6-(4-(4-cyanophenyl)-5-hydroxy-1H-pyrazol-1-yl)pyridin-3-yl)propionamide

Mol. Formula:
C18H15N5O2

M.W.:
333.35

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
103.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4853087

Name:
4-(5-hydroxy-1-(5-(thiazol-2-yl)pyridin-2-yl)-1H-pyrazol-4-yl)benzonitrile

Mol. Formula:
C18H11N5OS

M.W.:
345.39

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
87.62

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4114889

Name:
US9409892, 154

Mol. Formula:
C23H19N3O4S

M.W.:
433.49

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
123.31

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4114017

Name:
US9409892, 52

Mol. Formula:
C24H23N5O6

M.W.:
477.48

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
173.67

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4113879

Name:
US9409892, 75

Mol. Formula:
C27H21N3O6

M.W.:
483.48

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
152.77

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4113583

Name:
US9409892, 32

Mol. Formula:
C24H21N3O5

M.W.:
431.45

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
132.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4112963

Name:
US9409892, 63

Mol. Formula:
C22H19N3O5

M.W.:
405.41

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
132.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4112556

Name:
US9409892, 159

Mol. Formula:
C23H25N3O5

M.W.:
423.47

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
132.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4112446

Name:
US9409892, 107

Mol. Formula:
C28H23N3O5

M.W.:
481.51

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
132.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4112295

Name:
US9409892, 48

Mol. Formula:
C26H19N3O5

M.W.:
453.45

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
132.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4111822

Name:
US9409892, 51

Mol. Formula:
C23H20N4O6

M.W.:
448.44

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
161.64

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4111670

Name:
US9409892, 92

Mol. Formula:
C21H17N3O5

M.W.:
391.38

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
132.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4111543

Name:
US9409892, 72

Mol. Formula:
C22H19N3O5

M.W.:
405.41

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
132.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4111112

Name:
US9409892, 13

Mol. Formula:
C22H20N2O5

M.W.:
392.41

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
108.75

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4111031

Name:
US9409892, 37

Mol. Formula:
C21H17N3O6

M.W.:
407.38

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
152.77

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4110971

Name:
US9409892, 28

Mol. Formula:
C22H18N4O5

M.W.:
418.41