Compounds

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
117.71

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4877409

Name:
5-chloro-N2-(4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenyl)-N4-Show More⌵

Mol. Formula:
C24H30ClFN6O2S

M.W.:
521.06

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4876809

Name:
[2-[[2-[5-amino-4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-anilino]-Show More⌵

Mol. Formula:
C24H32ClN7O2S

M.W.:
518.09

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
114.63

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4870166

Name:
5-chloro-N4-(2-(isopropylsulfinyl)phenyl)-N2-(2-methoxy-4-(4-methylpiperaziShow More⌵

Mol. Formula:
C25H31ClN6O2S

M.W.:
515.08

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4864725

Name:
N-(5-(5-chloro-4-(2-(ethylsulfinyl)-4-fluorophenylamino)pyrimidin-2-ylaminoShow More⌵

Mol. Formula:
C27H33ClFN7O3S

M.W.:
590.13

41 activity values

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
117.71

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4861523

Name:
5-chloro-N4-(2-(ethylsulfinyl)-4-fluorophenyl)-N2-(2-methoxy-4-(4-methyl-1,Show More⌵

Mol. Formula:
C25H30ClFN6O2S

M.W.:
533.07

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4856619

Name:
5-chloro-N4-(2-(ethylthio)phenyl)-N2-(2-methoxy-4-(4-methylpiperazin-1-yl)pShow More⌵

Mol. Formula:
C24H29ClN6OS

M.W.:
485.06

Type:
Unknown

AlogP:
5.49

Polar Surface Area:
65.55

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4852483

Name:
5-chloro-N4-(2-(ethylsulfinyl)phenyl)-N2-(2-methoxy-4-(4-methylpiperazin-1-Show More⌵

Mol. Formula:
C24H29ClN6O2S

M.W.:
501.06

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4851559

Name:
5-chloro-N2-(4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenyl)-N4-Show More⌵

Mol. Formula:
C24H31ClN6O2S

M.W.:
503.07

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4851523

Name:
5-chloro-N4-(2-(ethylsulfinyl)phenyl)-N2-(2-methoxy-4-(4-methyl-1,4-diazepaShow More⌵

Mol. Formula:
C25H31ClN6O2S

M.W.:
515.08

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4851083

Name:
5-chloro-N4-(4-chloro-2-(ethylsulfinyl)phenyl)-N2-(2-methoxy-4-(4-methylpipShow More⌵

Mol. Formula:
C24H28Cl2N6O2S

M.W.:
535.50

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4850147

Name:
1-(4-(4-(5-chloro-4-(2-(ethylsulfinyl)-4-fluorophenylamino)pyrimidin-2-ylamShow More⌵

Mol. Formula:
C25H28ClFN6O3S

M.W.:
547.06

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
105.68

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4848013

Name:
5-chloro-N2-(4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)-N4-(2-(etShow More⌵

Mol. Formula:
C26H32ClFN6O2S

M.W.:
547.10

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4847046

Name:
5-chloro-N4-(2-(ethylsulfinyl)-4-fluorophenyl)-N2-(2-methoxy-4-(4-methylpipShow More⌵

Mol. Formula:
C24H28ClFN6O2S

M.W.:
519.05

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4846735

Name:
N-(5-(5-chloro-4-(2-(ethylsulfinyl)-4-fluorophenylamino)pyrimidin-2-ylaminoShow More⌵

Mol. Formula:
C27H35ClFN7O3S

M.W.:
592.14

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
117.71

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4846142

Name:
5-chloro-N4-(2-(ethylsulfinyl)-4-fluorophenyl)-N2-(2-methoxy-4-(methyl(1-meShow More⌵

Mol. Formula:
C26H32ClFN6O2S

M.W.:
547.10

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
88.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4592666

Name:
N-(2-((5-chloro-2-((4-(cyclopentylamino)-2-methoxyphenyl)amino)pyrimidin-4-Show More⌵

Mol. Formula:
C24H27ClN6O2

M.W.:
466.97

Type:
Unknown

AlogP:
5.94

Polar Surface Area:
100.20

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4592055

Name:
N-(2-((5-chloro-2-((4-(3-cyclopropylureido)-2-methoxyphenyl)amino)pyrimidinShow More⌵

Mol. Formula:
C23H24ClN7O3

M.W.:
481.94

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
129.30

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4580622

Name:
Ethyl (R)-1-((4-((4-((2-acetamidophenyl)amino)-5-chloropyrimidin-2-yl)aminoShow More⌵

Mol. Formula:
C28H32ClN7O5

M.W.:
582.06

Type:
Unknown

AlogP:
5.39

Polar Surface Area:
146.81

HBA:
9

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4573678

Name:
Ethyl 2-((4-((4-((2-acetamidophenyl)amino)-5-chloropyrimidin-2-yl)amino)-3-Show More⌵

Mol. Formula:
C27H29ClN6O4

M.W.:
537.02