Compounds

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA473322

Name:
3-Methyl-N-(4-methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzaShow More⌵

Mol. Formula:
C23H21N5O

M.W.:
383.46

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA473321

Name:
4-((4-Methylpiperazin-1-yl)methyl)-N-(3-(4-(pyridin-3-yl)-1H-imidazol-2-ylaShow More⌵

Mol. Formula:
C27H29N7O

M.W.:
467.58

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
89.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA473116

Name:
4-Methyl-N-(3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzamide

Mol. Formula:
C22H19N5O

M.W.:
369.43

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA472921

Name:
3-Methyl-N-(3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzamide

Mol. Formula:
C22H19N5O

M.W.:
369.43

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA514457

Name:
2-Methyl-N-(3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzamide

Mol. Formula:
C22H19N5O

M.W.:
369.43

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA472920

Name:
4-Amino-N-(4-methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzamShow More⌵

Mol. Formula:
C22H20N6O

M.W.:
384.44

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
108.72

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA473115

Name:
N-(4-Methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)isonicotinamidShow More⌵

Mol. Formula:
C21H18N6O

M.W.:
370.42

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
95.59

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA516043

Name:
4-Chloro-N-(4-methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzaShow More⌵

Mol. Formula:
C22H18ClN5O

M.W.:
403.87

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA473123

Name:
N-(4-Methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)-4-nitrobenzamShow More⌵

Mol. Formula:
C22H18N6O3

M.W.:
414.43

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
125.84

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA472927

Name:
3,4,5-Trimethoxy-N-(4-methyl-3-(4-(pyridin-3-yl)e1H-imidazol-2-ylamino) pheShow More⌵

Mol. Formula:
C25H25N5O4

M.W.:
459.51

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
110.39

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA472926

Name:
4-Methoxy-N-(4-methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzShow More⌵

Mol. Formula:
C23H21N5O2

M.W.:
399.45

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
91.93

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA462444

Name:
4-Decyl-N-(4-methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzamShow More⌵

Mol. Formula:
C32H39N5O

M.W.:
509.70

Type:
Small molecule

AlogP:
8.46

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA462643

Name:
4-Methyl-N-(4-methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzaShow More⌵

Mol. Formula:
C23H21N5O

M.W.:
383.46

4 activity values

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA517752

Name:
N-(4-Methyl-3-(4-(pyridin-4-yl)-1H-imidazol-2-ylamino)phenyl)-4-((4-methylpShow More⌵

Mol. Formula:
C28H31N7O

M.W.:
481.60

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
89.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA462642

Name:
N-(4-Methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)-4-((4-methylpShow More⌵

Mol. Formula:
C28H31N7O

M.W.:
481.60

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
89.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA461927

Name:
N-(4-Methyl-3-(4-phenyl-1H-imidazol-2-ylamino)phenyl)-4-((4-methylpiperazinShow More⌵

Mol. Formula:
C29H32N6O

M.W.:
480.62

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
76.29

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA461926

Name:
N-(4-Methyl-3-(4-(pyridin-4-yl)-1H-imidazol-2-ylamino)phenyl)benzamide

Mol. Formula:
C22H19N5O

M.W.:
369.43

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA462626

Name:
N-(4-Methyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)benzamide

Mol. Formula:
C22H19N5O

M.W.:
369.43