Compounds

ALA5267002

Name:
1-(2-(3-fluoro-5-(trifluoromethyl)benzyl)pyridin-4-yl)-1,5,6,7-tetrahydro-4Show More⌵

Mol. Formula:
C18H13F4N5O

M.W.:
391.33

Type:
---

AlogP:
2.70

Polar Surface Area:
72.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5282094

Name:
1-(5-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}pyridin-3-yl)-3-methyl-1H,Show More⌵

Mol. Formula:
C20H16F4N4O

M.W.:
404.37

Type:
---

AlogP:
3.61

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5280513

Name:
1-(5-(3-fluoro-5-(trifluoromethyl)benzyl)pyridin-3-yl)-1,5,6,7-tetrahydro-4Show More⌵

Mol. Formula:
C19H14F4N4O

M.W.:
390.34

Type:
---

AlogP:
3.30

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279049

Name:

Mol. Formula:
C21H24O6

M.W.:
372.42

Type:
---

AlogP:
2.94

Polar Surface Area:
78.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5278598

Name:
1-(2-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}pyridin-4-yl)-3-methyl-1H,Show More⌵

Mol. Formula:
C20H16F4N4O

M.W.:
404.37

Type:
---

AlogP:
3.61

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5278255

Name:
1-(2-{[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]methyl}pyridin-4-yl)-1H,Show More⌵

Mol. Formula:
C19H13ClF4N4O

M.W.:
424.79

Type:
---

AlogP:
3.96

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5277794

Name:
1-(2-{[3-(difluoromethyl)-5-fluorophenyl]methyl}pyridin-4-yl)-3-methyl-1H,4Show More⌵

Mol. Formula:
C20H17F3N4O

M.W.:
386.38

Type:
---

AlogP:
3.53

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5274093

Name:
1-(4-(3-fluoro-5-(trifluoromethyl)benzyl)pyridin-2-yl)-5-methyl-1,5,6,7-tetShow More⌵

Mol. Formula:
C20H16F4N4O

M.W.:
404.37

Type:
---

AlogP:
3.64

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5273936

Name:
1-(2-(3-fluoro-5-(trifluoromethyl)benzyl)pyridin-4-yl)-5,6,7,8-tetrahydropyShow More⌵

Mol. Formula:
C20H16F4N4O

M.W.:
404.37

Type:
---

AlogP:
3.69

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5291296

Name:
2-(2-(3-fluoro-5-(trifluoromethyl)benzyl)pyridin-4-yl)-2,5,6,7-tetrahydro-4Show More⌵

Mol. Formula:
C19H14F4N4O

M.W.:
390.34

Type:
---

AlogP:
3.30

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5289682

Name:
1-(3-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}phenyl)-1H,4H,5H,6H,7H-pyrShow More⌵

Mol. Formula:
C20H15F4N3O

M.W.:
389.35

Type:
---

AlogP:
3.91

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5287950

Name:
1-(2-{[3-(difluoromethyl)-5-fluorophenyl]methyl}pyridin-4-yl)-1H,4H,5H,6H,7Show More⌵

Mol. Formula:
C19H15F3N4O

M.W.:
372.35

Type:
---

AlogP:
3.22

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5287320

Name:
1-(2-{[3-(difluoromethoxy)-5-fluorophenyl]methyl}pyridin-4-yl)-3-methyl-1H,Show More⌵

Mol. Formula:
C20H17F3N4O2

M.W.:
402.38

Type:
---

AlogP:
3.19

Polar Surface Area:
69.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5287006

Name:
1-(4-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}pyridin-2-yl)-1H,4H,5H,6H,Show More⌵

Mol. Formula:
C19H14F4N4O

M.W.:
390.34

Type:
---

AlogP:
3.30

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5284809

Name:
1-(4-{[3-(trifluoromethyl)phenyl]methyl}pyridin-2-yl)-4,5,6,7-tetrahydro-1HShow More⌵

Mol. Formula:
C20H16F3N3O

M.W.:
371.36

Type:
---

AlogP:
4.40

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5284353

Name:
1-(2-(3-fluoro-5-(trifluoromethyl)benzyl)pyridin-4-yl)-1,5,6,7-tetrahydro-4Show More⌵

Mol. Formula:
C19H14F4N4O

M.W.:
390.34

Type:
---

AlogP:
3.30

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5272124

Name:
1-(2-(3-fluoro-5-(trifluoromethyl)benzyl)pyridin-4-yl)-5,6-dihydropyrrolo[3Show More⌵

Mol. Formula:
C18H12F4N4O

M.W.:
376.31

Type:
---

AlogP:
3.26

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5271921

Name:
1-(4-{[3-(trifluoromethyl)phenyl]methyl}pyridin-2-yl)-1H,4H,5H,6H,7H-pyrazoShow More⌵

Mol. Formula:
C19H15F3N4O

M.W.:
372.35

Type:
---

AlogP:
3.16

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4879330

Name:
N-(3-fluoro-2-hydroxypropyl)-1-(2-(3,4,5-trifluorobenzyl)pyridin-4-yl)indolShow More⌵

Mol. Formula:
C24H21F4N3O2

M.W.:
459.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4878629

Name:
(S)-N-(2-hydroxypropyl)-1-(4-(3,4,5-trifluorobenzyl)pyridin-2-yl)indoline-4Show More⌵

Mol. Formula:
C24H22F3N3O2

M.W.:
441.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS