Compounds

ALA5268924

Name:
N-(2-(1H-tetrazol-5-yl)phenyl)-4-(tert-butyl)-6-(trifluoromethyl)pyrimidin-Show More⌵

Mol. Formula:
C16H16F3N7

M.W.:
363.35

Type:
---

AlogP:
3.72

Polar Surface Area:
92.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5268477

Name:
2-((5-(trifluoromethyl)pyridin-3-yl)amino)benzoic acid

Mol. Formula:
C13H9F3N2O2

M.W.:
282.22

Type:
---

AlogP:
3.54

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5280688

Name:
N-(2-(1H-tetrazol-5-yl)phenyl)-4-chloro-6-(trifluoromethyl)pyrimidin-2-aminShow More⌵

Mol. Formula:
C12H7ClF3N7

M.W.:
341.68

Type:
---

AlogP:
3.07

Polar Surface Area:
92.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5280542

Name:
2-((3-cyano-5-(trifluoromethyl)phenyl)amino)benzoic acid

Mol. Formula:
C15H9F3N2O2

M.W.:
306.24

Type:
---

AlogP:
4.02

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5280454

Name:
N-(2-(1H-tetrazol-5-yl)phenyl)-4-ethynyl-6-(trifluoromethyl)pyrimidin-2-amiShow More⌵

Mol. Formula:
C14H8F3N7

M.W.:
331.26

Type:
---

AlogP:
2.40

Polar Surface Area:
92.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5279932

Name:
2-((2-(1H-tetrazol-5-yl)phenyl)amino)-6-(trifluoromethyl)pyrimidin-4-ol

Mol. Formula:
C12H8F3N7O

M.W.:
323.24

Type:
---

AlogP:
2.12

Polar Surface Area:
112.50

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5279691

Name:
N-(2-(1H-tetrazol-5-yl)phenyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-aminShow More⌵

Mol. Formula:
C13H10F3N7

M.W.:
321.27

Type:
---

AlogP:
2.73

Polar Surface Area:
92.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5279381

Name:
2-((3-methyl-5-(trifluoromethyl)phenyl)amino)benzoic acid

Mol. Formula:
C15H12F3NO2

M.W.:
295.26

Type:
---

AlogP:
4.46

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5279341

Name:
2-((6-(trifluoromethyl)pyridin-2-yl)amino)benzoic acid

Mol. Formula:
C13H9F3N2O2

M.W.:
282.22

Type:
---

AlogP:
3.54

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5278834

Name:
2-((4-bromo-3-(trifluoromethyl)phenyl)amino)benzoic acid

Mol. Formula:
C14H9BrF3NO2

M.W.:
360.13

Type:
---

AlogP:
4.91

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5278477

Name:
2-((3-(prop-1-yn-1-yl)-5-(trifluoromethyl)phenyl)amino)benzoic acid

Mol. Formula:
C17H12F3NO2

M.W.:
319.28

Type:
---

AlogP:
4.52

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5278171

Name:
2-((4-methyl-3-(trifluoromethyl)phenyl)amino)benzoic acid

Mol. Formula:
C15H12F3NO2

M.W.:
295.26

Type:
---

AlogP:
4.46

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5277281

Name:
2-((2-(1H-tetrazol-5-yl)phenyl)amino)-6-(trifluoromethyl)pyrimidine-4-carboShow More⌵

Mol. Formula:
C13H7F3N8

M.W.:
332.25

Type:
---

AlogP:
2.29

Polar Surface Area:
116.06

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5276181

Name:
2-((3-(difluoromethoxy)phenyl)amino)benzoic acid

Mol. Formula:
C14H11F2NO3

M.W.:
279.24

Type:
---

AlogP:
3.73

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5275180

Name:
N-(2-(1H-tetrazol-5-yl)phenyl)-3,5-bis(trifluoromethyl)aniline

Mol. Formula:
C15H9F6N5

M.W.:
373.26

Type:
---

AlogP:
4.65

Polar Surface Area:
66.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5275001

Name:
2-((2-methyl-5-(trifluoromethyl)phenyl)amino)benzoic acid

Mol. Formula:
C15H12F3NO2

M.W.:
295.26

Type:
---

AlogP:
4.46

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5274977

Name:
2-((4-(trifluoromethyl)pyrimidin-2-yl)amino)benzoic acid

Mol. Formula:
C12H8F3N3O2

M.W.:
283.21

Type:
---

AlogP:
2.94

Polar Surface Area:
75.11

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5274470

Name:
N-(2-(1H-tetrazol-5-yl)phenyl)-4-(trifluoromethyl)pyridin-2-amine

Mol. Formula:
C13H9F3N6

M.W.:
306.25

Type:
---

AlogP:
3.02

Polar Surface Area:
79.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5274304

Name:
N-(2-(1H-tetrazol-5-yl)phenyl)-4-(trifluoromethyl)pyrimidin-2-amine

Mol. Formula:
C12H8F3N7

M.W.:
307.24

Type:
---

AlogP:
2.42

Polar Surface Area:
92.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5273955

Name:
2-((3-ethynyl-5-(trifluoromethyl)phenyl)amino)benzoic acid

Mol. Formula:
C16H10F3NO2

M.W.:
305.25

Type:
---

AlogP:
4.13

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS