Compounds

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
128.79

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4754109

Name:
2-((4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)aminoShow More⌵

Mol. Formula:
C27H33ClN6O6S2

M.W.:
637.18

8 activity values

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
150.90

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4750810

Name:
5-chloro-N2-(4-((2-(4-ethylpiperazin-1-yl)ethyl)sulfonyl)-2-methoxyphenyl)-Show More⌵

Mol. Formula:
C28H37ClN6O5S2

M.W.:
637.23

8 activity values

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
133.83

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4749215

Name:
2-((4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)aminoShow More⌵

Mol. Formula:
C28H35ClN6O6S2

M.W.:
651.21

14 activity values

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
150.90

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4588373

Name:
(S)-N-(3,4-dimethoxybenzyl)-1-(2-((1,3-dimethyl-1H-pyrazol-4-yl)amino)pyridShow More⌵

Mol. Formula:
C25H32N6O3

M.W.:
464.57

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
93.54

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4574554

Name:
(S)-1-(2-((3-methyl-4-((1-methylpiperidin-4-yl)amino)phenyl)amino)pyridin-4Show More⌵

Mol. Formula:
C32H39F3N6O2

M.W.:
596.70

Type:
Unknown

AlogP:
6.07

Polar Surface Area:
81.76

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4563380

Name:
(S)-N-(4-cyanobenzyl)-1-(2-((1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)amiShow More⌵

Mol. Formula:
C28H34N8O

M.W.:
498.64

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
102.11

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4557265

Name:
(S)-N-(3,4-dimethoxybenzyl)-1-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyridin-4Show More⌵

Mol. Formula:
C24H30N6O3

M.W.:
450.54

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
93.54

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4540437

Name:
(S)-N-(3,4-dimethoxybenzyl)-1-(2-((1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-Show More⌵

Mol. Formula:
C29H39N7O3

M.W.:
533.68

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
96.78

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4523063

Name:
(S)-1-(2-((2-methoxy-4-(piperazin-1-yl)phenyl)amino)pyridin-4-yl)-N-(4-(triShow More⌵

Mol. Formula:
C30H35F3N6O3

M.W.:
584.64

38 activity values

21 unique targets

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
90.99

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4518526

Name:
(S)-N-(4-methylbenzyl)-1-(2-(3,4,5-trimethoxyphenylamino)pyridin-4-yl)piperShow More⌵

Mol. Formula:
C28H34N4O4

M.W.:
490.60

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
84.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4518092

Name:
(R)-1-(2-((2-methoxy-4-(4-morpholinopiperidin-1-yl)phenyl)amino)pyridin-4-yShow More⌵

Mol. Formula:
C35H43F3N6O4

M.W.:
668.76

Type:
Unknown

AlogP:
5.57

Polar Surface Area:
91.43

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4517108

Name:
(S)-1-(2-((1,3-dimethyl-1H-pyrazol-4-yl)amino)pyridin-4-yl)-N-(4-methylbenzShow More⌵

Mol. Formula:
C24H30N6O

M.W.:
418.55

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
75.08

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4476002

Name:
(R)-1-(2-((3-methyl-4-((1-methylpiperidin-4-yl)amino)phenyl)amino)pyridin-4Show More⌵

Mol. Formula:
C32H39F3N6O2

M.W.:
596.70

Type:
Unknown

AlogP:
6.07

Polar Surface Area:
81.76

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4470581

Name:
(S)-1-(2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyridin-4-yl)-NShow More⌵

Mol. Formula:
C31H37F3N6O3

M.W.:
598.67

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
82.20

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4470301

Name:
(S)-1-(2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amiShow More⌵

Mol. Formula:
C36H46F3N7O3

M.W.:
681.80

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
85.44

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4459539

Name:
(S)-N-(3,4-dimethoxybenzyl)-1-(2-((1-(piperidin-4-yl)-1H-pyrazol-4-yl)aminoShow More⌵

Mol. Formula:
C28H37N7O3

M.W.:
519.65

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
105.57

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4459365

Name:
(R)-1-(2-((1,3-dimethyl-1H-pyrazol-4-yl)amino)pyridin-4-yl)-N-(4-(trifluoroShow More⌵

Mol. Formula:
C24H27F3N6O2

M.W.:
488.51

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
84.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4459183

Name:
(R)-1-(2-((2-methoxy-4-(piperazin-1-yl)phenyl)amino)pyridin-4-yl)-N-(4-(triShow More⌵

Mol. Formula:
C30H35F3N6O3

M.W.:
584.64

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
90.99

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4455502

Name:
(S)-1-(2-((2-methoxy-4-(4-morpholinopiperidin-1-yl)phenyl)amino)pyridin-4-yShow More⌵

Mol. Formula:
C35H43F3N6O4

M.W.:
668.76