Compounds

Type:
---

AlogP:
5.78

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5207342

Name:
N-(2-Amino-4-((4-(trifluoromethyl)benzyl)amino)phenyl)heptanamide

Mol. Formula:
C21H26F3N3O

M.W.:
393.45

Type:
---

AlogP:
5.81

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5207254

Name:
N-(2-Amino-4-((4-hydroxybenzyl)amino)phenyl)heptanamide

Mol. Formula:
C20H27N3O2

M.W.:
341.46

Type:
---

AlogP:
4.50

Polar Surface Area:
87.38

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5204896

Name:
3,3-Dimethyl-N-(2-(pyrrolidin-1-yl)-4-((4-(trifluoromethyl)-benzyl)amino)phShow More⌵

Mol. Formula:
C24H30F3N3O

M.W.:
433.52

Type:
---

AlogP:
6.29

Polar Surface Area:
44.37

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5204347

Name:
N-(2-Amino-3-fluoro-4-((4-(trifluoromethyl)benzyl)amino)phenyl)heptanamide

Mol. Formula:
C21H25F4N3O

M.W.:
411.44

Type:
---

AlogP:
5.95

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5204124

Name:
N-(2-Amino-3-fluoro-4-((4-(trifluoromethyl)benzyl)amino)phenyl)-3,3-dimethyShow More⌵

Mol. Formula:
C20H23F4N3O

M.W.:
397.42

28 activity values

6 unique targets

Type:
---

AlogP:
5.41

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5203498

Name:
N-(2-Amino-4-((4-(trifluoromethyl)benzyl)amino)phenyl)-2-(2-methoxyethoxy)aShow More⌵

Mol. Formula:
C19H22F3N3O3

M.W.:
397.40

Type:
---

AlogP:
3.50

Polar Surface Area:
85.61

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5200133

Name:
N-(2-Amino-4-(methyl(4-(trifluoromethyl)benzyl)amino)phenyl)heptanamide

Mol. Formula:
C22H28F3N3O

M.W.:
407.48

3 activity values

Type:
---

AlogP:
5.83

Polar Surface Area:
58.36

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5197283

Name:
N-(2-Amino-4-((4-(trifluoromethyl)benzyl)amino)phenyl)-3,3-dimethylbutanamiShow More⌵

Mol. Formula:
C20H24F3N3O

M.W.:
379.43

Type:
---

AlogP:
5.27

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5196744

Name:
N-(2-Amino-4-((4-(trifluoromethyl)benzyl)amino)phenyl)-3-cyclohexylpropanamShow More⌵

Mol. Formula:
C23H28F3N3O

M.W.:
419.49

Type:
---

AlogP:
6.20

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5193860

Name:
N-(2-Amino-4-(4-(trifluoromethyl)phenethyl)phenyl)-3,3-dimethylbutanamide

Mol. Formula:
C21H25F3N2O

M.W.:
378.44

Type:
---

AlogP:
5.45

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5193529

Name:
N-(2-Amino-4-((4-(trifluoromethyl)benzyl)amino)phenyl)dodecanamide

Mol. Formula:
C26H36F3N3O

M.W.:
463.59

Type:
---

AlogP:
7.76

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5192819

Name:
N-(2-Amino-4-((4-fluorophenethyl)amino)phenyl)heptanamide

Mol. Formula:
C21H28FN3O

M.W.:
357.47

Type:
---

AlogP:
4.97

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5191894

Name:
N-(2-Amino-4-((2-fluorobenzyl)amino)phenyl)heptanamide

Mol. Formula:
C20H26FN3O

M.W.:
343.45

Type:
---

AlogP:
4.93

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5191893

Name:
N-(2-Amino-4-(benzylamino)phenyl)heptanamide

Mol. Formula:
C20H27N3O

M.W.:
325.46

Type:
---

AlogP:
4.79

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5190581

Name:
N-(2-Amino-4-((4-(trifluoromethyl)benzyl)amino)phenyl)octanamide

Mol. Formula:
C22H28F3N3O

M.W.:
407.48

Type:
---

AlogP:
6.20

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5190177

Name:
N-(4-((4-(Trifluoromethyl)benzyl)amino)phenyl)heptanamide

Mol. Formula:
C21H25F3N2O

M.W.:
378.44

Type:
---

AlogP:
6.23

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5189906

Name:
N-(2-Amino-4-((pyridin-4-ylmethyl)amino)phenyl)heptanamide

Mol. Formula:
C19H26N4O

M.W.:
326.44

Type:
---

AlogP:
4.18

Polar Surface Area:
80.04

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5188371

Name:
N-(2-Amino-4-(methyl(4-(trifluoromethyl)benzyl)amino)phenyl)3,3-dimethylbutShow More⌵

Mol. Formula:
C21H26F3N3O

M.W.:
393.45

3 activity values

Type:
---

AlogP:
5.30

Polar Surface Area:
58.36

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5185876

Name:
N-(2-Amino-4-(N-(4-(trifluoromethyl)benzyl)acetamido)phenyl)heptanamide

Mol. Formula:
C23H28F3N3O2

M.W.:
435.49