Compounds

ALA4593862

Name:
3-(Aminomethyl)-7-phenylisoquinolin-1(2H)-one

Mol. Formula:
C16H14N2O

M.W.:
250.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
58.88

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA4593375

Name:
(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)phenyl)(4-(pyridin-2-yl)piperazin-1-Show More⌵

Mol. Formula:
C21H23ClN6O2

M.W.:
426.91

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
97.47

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4593145

Name:
(2-(3-Phenoxyphenoxy)-6-(trifluoromethyl)pyridin-4-yl)methanamine trifluoroShow More⌵

Mol. Formula:
C21H16F6N2O4

M.W.:
474.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.14

Polar Surface Area:
57.37

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4592316

Name:
4-(6-(Aminomethyl)pyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide acetate

Mol. Formula:
C18H24N6O3

M.W.:
372.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.29

Polar Surface Area:
87.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4591483

Name:
(3R,4R)-1-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)benzoyl)Show More⌵

Mol. Formula:
C19H20ClF4N3O5S

M.W.:
513.90

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
111.82

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4591468

Name:
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(4-methyl-2-oxo-Show More⌵

Mol. Formula:
C24H19ClF3N3O4

M.W.:
505.88

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
107.45

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4590573

Name:
(1H-Imidazo[4,5-b]pyridin-2-yl)methanamine

Mol. Formula:
C7H8N4

M.W.:
148.17

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.42

Polar Surface Area:
67.59

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4590296

Name:
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)methyl)-1-benzyl-6-methShow More⌵

Mol. Formula:
C20H20ClF3N4O2

M.W.:
440.85

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
82.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4590213

Name:
(6-(Trifluoromethyl)-[2,3'-bipyridin]-4-yl)methanamine trifluoroacetate

Mol. Formula:
C14H11F6N3O2

M.W.:
367.25

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
51.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.89

DETAILS

ALA4589671

Name:
Thieno[3,2-b]furan-5-ylmethanamine

Mol. Formula:
C7H7NOS

M.W.:
153.21

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
39.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.68

DETAILS

ALA4589442

Name:
(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)(7-oxa-2-azShow More⌵

Mol. Formula:
C21H23ClF3N3O3

M.W.:
457.88

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
77.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4589351

Name:
3-((7-(Aminomethyl)imidazo[1,2-a]pyrimidin-5-yl)oxy)-N-phenylbenzamide

Mol. Formula:
C20H17N5O2

M.W.:
359.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
94.54

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4588942

Name:
(5-Bromo-1H-indol-2-yl)methanamine

Mol. Formula:
C9H9BrN2

M.W.:
225.09

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.39

Polar Surface Area:
41.81

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA4587941

Name:
(6-((1-((6-Methoxypyridin-3-yl)methyl)-1H-indol-5-yl)oxy)pyrimidin-4-yl)metShow More⌵

Mol. Formula:
C22H23N5O4

M.W.:
421.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
88.08

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4587738

Name:
3-(((6-(Aminomethyl)pyrimidin-4-yl)amino)methyl)-N-phenylbenzamide hydrochlShow More⌵

Mol. Formula:
C19H20ClN5O

M.W.:
369.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
92.93

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4587415

Name:
Rac-3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-((5-oxopyrroShow More⌵

Mol. Formula:
C19H20ClF3N4O3

M.W.:
444.84

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
106.34

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4587414

Name:
(5-(tert-Butyl)benzo[d]oxazol-2-yl)methanamine

Mol. Formula:
C12H16N2O

M.W.:
204.27

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
52.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA4587390

Name:
(5-(6-(Aminomethyl)pyrimidin-4-yl)oxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolShow More⌵

Mol. Formula:
C16H19ClN4O3

M.W.:
350.81

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.00

Polar Surface Area:
101.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4587145

Name:
(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)phenyl)(4-hydroxy-4-(trifluoromethylShow More⌵

Mol. Formula:
C18H20ClF3N4O3

M.W.:
432.83

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
101.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4586785

Name:
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(oxetan-3-yl)benShow More⌵

Mol. Formula:
C19H17F6N3O5

M.W.:
481.35

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
86.47

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS