Compounds

Type:
---

AlogP:
1.86

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5204256

Name:
4-methyl-6-(3-(4-methylpiperazin-1-yl)propyl)pyridin-2-amine

Mol. Formula:
C14H24N4

M.W.:
248.37

Type:
---

AlogP:
1.15

Polar Surface Area:
45.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5192809

Name:
6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine

Mol. Formula:
C12H13F2N3

M.W.:
237.25

Type:
---

AlogP:
1.27

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5191295

Name:
4-methyl-6-(3-(methylamino)propyl)pyridin-2-amine

Mol. Formula:
C10H17N3

M.W.:
179.27

Type:
---

AlogP:
1.12

Polar Surface Area:
50.94

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5189279

Name:
6-(3-(dimethylamino)propyl)-4-methylpyridin-2-amine

Mol. Formula:
C11H19N3

M.W.:
193.29

Type:
---

AlogP:
1.47

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5188800

Name:
6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine

Mol. Formula:
C14H17F2N3

M.W.:
265.31

Type:
---

AlogP:
2.05

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA5186489

Name:
6-(4-(dimethylamino)butyl)-4-methylpyridin-2-amine

Mol. Formula:
C12H21N3

M.W.:
207.32

Type:
---

AlogP:
1.86

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5182377

Name:
6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine

Mol. Formula:
C14H21F2N3

M.W.:
269.34

Type:
---

AlogP:
2.64

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5176637

Name:
4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine

Mol. Formula:
C10H13N3

M.W.:
175.24

Type:
---

AlogP:
0.54

Polar Surface Area:
50.94

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.61

DETAILS

ALA5175065

Name:
6-(4-(dimethylamino)but-1-yn-1-yl)-4-methylpyridin-2-amine

Mol. Formula:
C12H17N3

M.W.:
203.29

Type:
---

AlogP:
1.28

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA5172237

Name:
4-methyl-6-(3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl)pyridin-2-amine

Mol. Formula:
C14H20N4

M.W.:
244.34

Type:
---

AlogP:
0.57

Polar Surface Area:
45.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4588416

Name:
7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine

Mol. Formula:
C20H23N3O

M.W.:
321.42

6 activity values

5 unique targets

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
74.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4576585

Name:
7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-2-amine

Mol. Formula:
C23H22N4O

M.W.:
370.46

9 activity values

8 unique targets

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4564267

Name:
7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine Dihydrochloride

Mol. Formula:
C18H21Cl2N3

M.W.:
350.29

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4555914

Name:
7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine

Mol. Formula:
C21H20N4O2

M.W.:
360.42

12 activity values

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
100.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4535045

Name:
7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine

Mol. Formula:
C23H22N4O

M.W.:
370.46

12 activity values

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4534970

Name:
7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine

Mol. Formula:
C21H20N4OS

M.W.:
376.49

9 activity values

8 unique targets

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
87.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4531336

Name:
Rac-7-(1-Amino-2,3-dihydro-1H-inden-5-yl)-4-methylquinolin-2-amine DihydrocShow More⌵

Mol. Formula:
C19H21Cl2N3

M.W.:
362.30

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4530134

Name:
7-(3-(Aminomethyl)-4-chlorophenyl)-4-methylquinolin-2-amine

Mol. Formula:
C17H16ClN3

M.W.:
297.79

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4527163

Name:
7-(3-(Aminomethyl)-4-ethylphenyl)-4-methylquinolin-2-amine

Mol. Formula:
C19H21N3

M.W.:
291.40