Compounds

ALA4642430

Name:
4-chloro-N,2-dimethyl-N-(pyridin-3-yl)benzamide

Mol. Formula:
C14H13ClN2O

M.W.:
260.72

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4635931

Name:
4-cyano-N-methyl-N-(pyridin-3-yl)benzamide

Mol. Formula:
C14H11N3O

M.W.:
237.26

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
56.99

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA4635356

Name:
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-yl)benzamide

Mol. Formula:
C13H10ClFN2O

M.W.:
264.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4291002

Name:
ethyl 2-(4-(4-(3-((1H-imidazol-1-yl)methyl)-5-chlorostyryl)phenyl)piperazinShow More⌵

Mol. Formula:
C27H30ClN5O3

M.W.:
508.02

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
79.70

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4290660

Name:
5-((6-(2-Fluorophenyl)pyridin-3-yl)methyl)pyridin-3-ol

Mol. Formula:
C17H13FN2O

M.W.:
280.30

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
46.01

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4288256

Name:
1-(4-(3-((1H-imidazol-1-yl)methyl)-5-chlorostyryl)phenyl)-4-(3-(trifluoromeShow More⌵

Mol. Formula:
C29H26ClF3N4O3S

M.W.:
603.07

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
6.16

Polar Surface Area:
67.67

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4282375

Name:
5-((1-Methyl-3-phenyl-1H-pyrazol-5-yl)methyl)pyridin-3-ol

Mol. Formula:
C16H15N3O

M.W.:
265.32

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4281975

Name:
2-(2-Fluorophenyl)-5-((5-methoxypyridin-3-yl)methyl)pyridine

Mol. Formula:
C18H15FN2O

M.W.:
294.33

15 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
35.01

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4280014

Name:
5-((2-Phenylthiazol-5-yl)methyl)pyridin-3-ol

Mol. Formula:
C15H12N2OS

M.W.:
268.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
46.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4278914

Name:
5-((3-Phenylisoxazol-5-yl)methyl)pyridin-3-ol

Mol. Formula:
C15H12N2O2

M.W.:
252.27

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
59.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4278076

Name:
2-methoxyethyl 4-(4-(((2s,5s)-2-((1H-imidazol-1-yl)methyl)-2-(2-chlorophenyShow More⌵

Mol. Formula:
C29H35ClN4O6

M.W.:
571.07

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
87.52

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4113800

Name:
US9187429, 76

Mol. Formula:
C17H16F4N2O2S

M.W.:
388.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4113505

Name:
US9187429, 107

Mol. Formula:
C22H23F3N2O

M.W.:
388.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4113369

Name:
US9187429, 56

Mol. Formula:
C17H16ClFN2O

M.W.:
318.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4112714

Name:
US9187429, 75

Mol. Formula:
C18H16F4N2O

M.W.:
352.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4112074

Name:
US9187429, 67

Mol. Formula:
C20H21F3N2O

M.W.:
362.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4111893

Name:
US9187429, 70

Mol. Formula:
C20H21F3N2O

M.W.:
362.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4111398

Name:
US9187429, 77

Mol. Formula:
C18H17F3N2O

M.W.:
334.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4109956

Name:
US9187429, 52::US9187429, 53::US9187429, 54

Mol. Formula:
C18H17F3N2O2

M.W.:
350.34

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4109720

Name:
US9187429, 46::US9187429, 47::US9187429, 48

Mol. Formula:
C19H19F3N2O2

M.W.:
364.37

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS