Compounds

ALA5286208

Name:
Rac-(4-Benzyl-3-hydroxypiperidin-1-yl)(5-methyl-2-
Show More⌵

Mol. Formula:
C25H26N2O2

M.W.:
386.50

Type:
---

AlogP:
4.12

Polar Surface Area:
53.43

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5285548

Name:
(5,5-dimethyl-3-(o-tolyl)-4,5-dihydro-1H-pyrazol-1
Show More⌵

Mol. Formula:
C18H19N3O

M.W.:
293.37

Type:
---

AlogP:
3.42

Polar Surface Area:
45.56

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5285292

Name:
(4-Hydroxy-4-phenylpiperidin-1-yl)(5-methyl-2-(pyr
Show More⌵

Mol. Formula:
C24H24N2O2

M.W.:
372.47

Type:
---

AlogP:
4.18

Polar Surface Area:
53.43

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5284673

Name:
(4-Benzyl-4-hydroxypiperidin-1-yl)(5-fluoro-2-(pyr
Show More⌵

Mol. Formula:
C24H23FN2O2

M.W.:
390.46

Type:
---

AlogP:
4.10

Polar Surface Area:
53.43

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5282804

Name:
(4-Benzyl-4-hydroxypiperidin-1-yl)(2-(pyridin-4-yl
Show More⌵

Mol. Formula:
C23H23N3O2

M.W.:
373.46

Type:
---

AlogP:
3.35

Polar Surface Area:
66.32

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5282243

Name:
(4-Benzyl-4-methoxypiperidin-1-yl)(5-methyl-2-(pyr
Show More⌵

Mol. Formula:
C26H28N2O2

M.W.:
400.52

Type:
---

AlogP:
4.92

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5281369

Name:
(4-Benzyl-4-hydroxypiperidin-1-yl)(5-methyl-2-(2-m
Show More⌵

Mol. Formula:
C26H28N2O2

M.W.:
400.52

Type:
---

AlogP:
4.58

Polar Surface Area:
53.43

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279173

Name:
(4-Benzyl-4-hydroxypiperidin-1-yl)(2-(pyrimidin-4-
Show More⌵

Mol. Formula:
C22H22N4O2

M.W.:
374.44

Type:
---

AlogP:
2.75

Polar Surface Area:
79.21

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5278891

Name:
(4-Hydroxypiperidin-1-yl)(5-methyl-2-(pyridin-4-yl
Show More⌵

Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
---

AlogP:
2.65

Polar Surface Area:
53.43

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.93

DETAILS

ALA5291094

Name:
(4-Ethyl-4-hydroxypiperidin-1-yl)(5-methyl-2-(pyri
Show More⌵

Mol. Formula:
C20H24N2O2

M.W.:
324.42

Type:
---

AlogP:
3.43

Polar Surface Area:
53.43

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5289771

Name:
(4-Benzyl-4-hydroxypiperidin-1-yl)(5-methyl-2-(3-m
Show More⌵

Mol. Formula:
C26H28N2O2

M.W.:
400.52

Type:
---

AlogP:
4.58

Polar Surface Area:
53.43

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5288993

Name:
(4-benzylpiperidin-1-yl)(5-methyl-2-(pyridin-4-yl)
Show More⌵

Mol. Formula:
C25H26N2O

M.W.:
370.50

Type:
---

AlogP:
5.15

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5288871

Name:
(4-benzylpiperazin-1-yl)(5-methyl-2-(pyridin-4-yl)
Show More⌵

Mol. Formula:
C24H25N3O

M.W.:
371.48

Type:
---

AlogP:
4.02

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5288661

Name:
(4-Benzyl-4-hydroxypiperidin-1-yl)(5-chloro-2-(pyr
Show More⌵

Mol. Formula:
C24H23ClN2O2

M.W.:
406.91

Type:
---

AlogP:
4.61

Polar Surface Area:
53.43

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4547740

Name:
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N-(te
Show More⌵

Mol. Formula:
C19H24ClN5O2

M.W.:
389.89

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
72.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4547685

Name:
(3-fluoroazetidin-1-yl)(1-(4-(5-methyl-1,3-thiazol
Show More⌵

Mol. Formula:
C18H21FN4OS

M.W.:
360.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
49.33

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4547069

Name:
1-(4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)-N-phe
Show More⌵

Mol. Formula:
C21H23N5O

M.W.:
361.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4546861

Name:
N,N-dimethyl-1-(4-(5-methyl-1,3-oxazol-2-yl)pyridi
Show More⌵

Mol. Formula:
C17H22N4O2

M.W.:
314.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
62.47

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4546835

Name:
(2R,4S)-4-methoxy-1-((1-(4-(4-methyl-1H-pyrazol-1-
Show More⌵

Mol. Formula:
C21H26N6O2

M.W.:
394.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
87.28

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4546648

Name:
N-(2-fluoroethyl)-1-(4-(4-methyl-1H-pyrazol-1-yl)p
Show More⌵

Mol. Formula:
C21H28FN5O2

M.W.:
401.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.38

Polar Surface Area:
63.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS