Compounds

ALA5272692

Name:
4-((4-(2-(Benzyloxy)-4-fluorophenyl)pyrimidin-2-yl)amino)-N-(2-(diisopropylShow More⌵

Mol. Formula:
C32H36FN5O2

M.W.:
541.67

Type:
---

AlogP:
6.45

Polar Surface Area:
79.38

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5271151

Name:
N-(5-((5-bromo-4-((2,3-dihydro-1H-inden-5-yl)amino)pyrimidin-2-yl)amino)-2-Show More⌵

Mol. Formula:
C27H32BrN7O

M.W.:
550.51

Type:
---

AlogP:
5.34

Polar Surface Area:
85.42

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5270671

Name:
N-(5-((5-chloro-4-((2-(N-cyclopropyl-N-methylsulfamoyl)phenyl)amino)pyrimidShow More⌵

Mol. Formula:
C29H37ClN8O4S

M.W.:
629.19

Type:
---

AlogP:
4.53

Polar Surface Area:
132.03

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5270061

Name:
4-((4-(2-(Benzyloxy)-4-fluorophenyl)pyrimidin-2-yl)amino)-N-(2-(diethylaminShow More⌵

Mol. Formula:
C30H32FN5O2

M.W.:
513.62

Type:
---

AlogP:
5.68

Polar Surface Area:
79.38

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5268803

Name:
N-(5-((5-chloro-4-((2-(pyrrolidin-1-ylsulfonyl)phenyl)amino)pyrimidin-2-yl)Show More⌵

Mol. Formula:
C29H37ClN8O4S

M.W.:
629.19

Type:
---

AlogP:
4.53

Polar Surface Area:
132.03

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5268146

Name:
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-5-((5-fluoro-4-((2-(pyrrolidinShow More⌵

Mol. Formula:
C29H37FN8O4S

M.W.:
612.73

Type:
---

AlogP:
4.02

Polar Surface Area:
132.03

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5281621

Name:
2-((6,7-bis(2-methoxyethoxy)quinazolin-4-yl)amino)-N-cyclopropylbenzenesulfShow More⌵

Mol. Formula:
C23H28N4O6S

M.W.:
488.57

Type:
---

AlogP:
2.86

Polar Surface Area:
120.90

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5281520

Name:
6,7-bis(2-methoxyethoxy)-N-(2-(pyrrolidin-1-ylsulfonyl)phenyl)quinazolin-4-Show More⌵

Mol. Formula:
C24H30N4O6S

M.W.:
502.59

Type:
---

AlogP:
3.21

Polar Surface Area:
112.11

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5281327

Name:
2-((6,7-bis(2-methoxyethoxy)quinazolin-4-yl)amino)-N-methylbenzenesulfonamiShow More⌵

Mol. Formula:
C21H26N4O6S

M.W.:
462.53

Type:
---

AlogP:
2.33

Polar Surface Area:
120.90

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5279311

Name:
2-((6,7-bis(2-methoxyethoxy)quinazolin-4-yl)(methyl)amino)-N,N-dimethylbenzShow More⌵

Mol. Formula:
C23H30N4O6S

M.W.:
490.58

Type:
---

AlogP:
2.70

Polar Surface Area:
103.32

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5273318

Name:
4-((4-(2-(Benzyloxy)-4-fluorophenyl)pyrimidin-2-yl)amino)benzoic acid

Mol. Formula:
C24H18FN3O3

M.W.:
415.42

Type:
---

AlogP:
5.30

Polar Surface Area:
84.34

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5273295

Name:
2-((5-chloro-2-((4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methylphenyl)aShow More⌵

Mol. Formula:
C24H32ClN7O2S

M.W.:
518.09

Type:
---

AlogP:
4.17

Polar Surface Area:
93.70

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5272858

Name:
N-(5-((5-bromo-4-((1-methyl-1H-indol-6-yl)amino)pyrimidin-2-yl)amino)-2-(4-Show More⌵

Mol. Formula:
C27H29BrN8O

M.W.:
561.49

Type:
---

AlogP:
5.09

Polar Surface Area:
90.35

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5286512

Name:
4-((4-(2-(Benzyloxy)-4-fluorophenyl)pyrimidin-2-yl)amino)-N-(2-morpholinoetShow More⌵

Mol. Formula:
C30H30FN5O3

M.W.:
527.60

Type:
---

AlogP:
4.67

Polar Surface Area:
88.61

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5286092

Name:
N-(5-((4-((1H-indol-6-yl)amino)-5-bromopyrimidin-2-yl)amino)-2-(4-methylpipShow More⌵

Mol. Formula:
C26H27BrN8O

M.W.:
547.46

Type:
---

AlogP:
5.08

Polar Surface Area:
101.21

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5286080

Name:
N-(4-methoxy-5-((4-((1-methyl-1H-indol-5-yl)amino)pyrimidin-2-yl)amino)-2-(Show More⌵

Mol. Formula:
C28H32N8O2

M.W.:
512.62

Type:
---

AlogP:
4.34

Polar Surface Area:
99.58

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5284889

Name:
2-((6,7-bis(2-methoxyethoxy)quinazolin-4-yl)amino)-N,N-dimethylbenzenesulfoShow More⌵

Mol. Formula:
C22H28N4O6S

M.W.:
476.56

Type:
---

AlogP:
2.67

Polar Surface Area:
112.11

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5284780

Name:
N-(5-((5-chloro-4-((2-(N-cyclopropylsulfamoyl)phenyl)amino)pyrimidin-2-yl)aShow More⌵

Mol. Formula:
C28H35ClN8O4S

M.W.:
615.16

Type:
---

AlogP:
4.19

Polar Surface Area:
140.82

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5282957

Name:
2-((6,7-bis(2-methoxyethoxy)quinazolin-4-yl)amino)-N-methylbenzamide

Mol. Formula:
C22H26N4O5

M.W.:
426.47

Type:
---

AlogP:
2.78

Polar Surface Area:
103.83

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5291434

Name:
N-(5-((4-((1H-indol-6-yl)amino)-5-bromopyrimidin-2-yl)amino)-4-methoxy-2-(4Show More⌵

Mol. Formula:
C27H31BrN8O2

M.W.:
579.50

Type:
---

AlogP:
5.32

Polar Surface Area:
110.44

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS