Compounds

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
117.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4878410

Name:
N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-7-(1H-pyrazol-4-yl)-1Show More⌵

Mol. Formula:
C22H20N8O

M.W.:
412.46

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
117.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4878227

Name:
3-(3-(4-cyclopropyl-1H-imidazole-1-yl)-5-methoxyphenyl)-5-(4-isopropyl-4H-1Show More⌵

Mol. Formula:
C25H25N7O

M.W.:
439.52

3 activity values

Type:
Unknown

AlogP:
5.14

Polar Surface Area:
86.44

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4878217

Name:
N-cyclopropyl-3-(5-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1H-indazol-3-yl)benzShow More⌵

Mol. Formula:
C22H22N6O

M.W.:
386.46

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
88.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4878207

Name:
N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1-methyl-1H-indole-2-Show More⌵

Mol. Formula:
C20H20N6O

M.W.:
360.42

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
77.63

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4878127

Name:
5-(4-cyclohexyl-4H-1,2,4-triazol-3-yl)-3-(3-(4-cyclopropyl-1H-imidazole-1-yShow More⌵

Mol. Formula:
C27H27N7

M.W.:
449.56

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
77.21

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4876111

Name:
N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-3-methylbenzofuran-2-Show More⌵

Mol. Formula:
C20H19N5O2

M.W.:
361.41

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
85.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4874376

Name:
N-(3-(1H-tetrazol-1-yl)phenyl)-3-methylbenzofuran-2-carboxamidec

Mol. Formula:
C17H13N5O2

M.W.:
319.32

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
85.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4873179

Name:
3-(5-(4-cyclopropyl-1H-imidazole-1-yl)-2-methoxyphenyl)-5-(4-isopropyl-4H-1Show More⌵

Mol. Formula:
C25H25N7O

M.W.:
439.52

Type:
Unknown

AlogP:
5.14

Polar Surface Area:
86.44

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4873038

Name:
N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-6-(pyridin-3-yl)-1H-iShow More⌵

Mol. Formula:
C24H21N7O

M.W.:
423.48

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
101.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4871624

Name:
3-(5-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1H-indazol-3-yl)-N-(2-methoxyethylShow More⌵

Mol. Formula:
C22H24N6O2

M.W.:
404.47

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4870487

Name:
N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-6-methoxy-1H-indole-2Show More⌵

Mol. Formula:
C20H20N6O2

M.W.:
376.42

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4870142

Name:
N-(6-(4-isopropyl-4H-1,2,4-biazol-3-yl)pyridin-2-yl)-4-(1-methyl-1H-pyrazolShow More⌵

Mol. Formula:
C23H22N8O

M.W.:
426.48

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
106.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4869497

Name:
3-(3-(4-cyclopropyl-1H-imidazole-1-yl)phenyl)-5-(4-cyclopropyl-4H-1,2,4-triShow More⌵

Mol. Formula:
C24H21N7

M.W.:
407.48

3 activity values

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
77.21

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4869354

Name:
N-(3-(5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl)phenyl)-4-(trifluoromethyl)Show More⌵

Mol. Formula:
C23H15F3N6O

M.W.:
448.41

Type:
Unknown

AlogP:
5.29

Polar Surface Area:
99.35

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4868746

Name:
N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1H-pyrrolo[2,3-b]pyriShow More⌵

Mol. Formula:
C18H17N7O

M.W.:
347.38

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
101.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4866123

Name:
5-(4-isopropyl-4H-1,2,4-triazol-3-yl)-3-(3-(1-(methoxymethyl)-1H-pyrazol-4-Show More⌵

Mol. Formula:
C23H23N7O

M.W.:
413.49

3 activity values

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
86.44

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4866091

Name:
6-(1-(1-ethoxyethyl)-1H-pyrazol-4-yl)-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-Show More⌵

Mol. Formula:
C26H28N8O2

M.W.:
484.56

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
115.54

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4865938

Name:
5-(4-isopropyl-4H-1,2,4-triazol-3-yl)-3-(3-(methylsulfonyl)phenyl)-1H-indazShow More⌵

Mol. Formula:
C19H19N5O2S

M.W.:
381.46

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
93.53

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4865331

Name:
4-(3-(4-cyclopropyl-1H-imidazole-1-yl)-5-(5-(4-isopropyl-4H-1,2,4-triazol-3Show More⌵

Mol. Formula:
C28H30N8O

M.W.:
494.60