Compounds

Type:
Small molecule

AlogP:
6.68

Polar Surface Area:
90.00

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4176022

Name:
(E)-5-((4-chlorobenzylidene)amino)-4-(2-methoxy-4-methylphenoxy)-N-(4-morphShow More⌵

Mol. Formula:
C29H28ClN5O3

M.W.:
530.03

Type:
Small molecule

AlogP:
6.57

Polar Surface Area:
81.10

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4175265

Name:
1-(3,5-dimethoxyphenyl)-3-(4-(4-fluorophenoxy)-2-(4-morpholinophenylamino)pShow More⌵

Mol. Formula:
C29H29FN6O5

M.W.:
560.59

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
119.10

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4174850

Name:
1-(2,6-dichlorophenyl)-3-(4-(2-methoxy-4-methylphenoxy)-2-(4-morpholinophenShow More⌵

Mol. Formula:
C29H28Cl2N6O4

M.W.:
595.49

Type:
Small molecule

AlogP:
7.12

Polar Surface Area:
109.87

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4172872

Name:
N5-(3,5-bis(trifluoromethyl)benzyl)-4-(2-methoxy-4-methylphenoxy)-N2-(4-morShow More⌵

Mol. Formula:
C31H29F6N5O3

M.W.:
633.59

Type:
Small molecule

AlogP:
7.82

Polar Surface Area:
80.77

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4172630

Name:
(E)-4-(2-methoxy-4-methylphenoxy)-N-(4-morpholinophenyl)-5-((3,5-dichlorobeShow More⌵

Mol. Formula:
C29H27Cl2N5O3

M.W.:
564.47

Type:
Small molecule

AlogP:
7.22

Polar Surface Area:
81.10

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4172190

Name:
(E)-5-((3,5-dimethoxybenzylidene)amino)-4-(3-methoxyphenoxy)-N-(4-morpholinShow More⌵

Mol. Formula:
C30H31N5O5

M.W.:
541.61

17 activity values

Type:
Small molecule

AlogP:
5.63

Polar Surface Area:
99.56

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4171820

Name:
(E)-5-((2,5-dimethoxybenzylidene)amino)-4-(2-methoxy-4-methylphenoxy)-N-(4-Show More⌵

Mol. Formula:
C31H33N5O5

M.W.:
555.64

Type:
Small molecule

AlogP:
5.93

Polar Surface Area:
99.56

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4171753

Name:
N5-(4-chlorobenzyl)-4-(2-methoxy-4-methylphenoxy)-N2-(4-morpholinophenyl)pyShow More⌵

Mol. Formula:
C29H30ClN5O3

M.W.:
532.04

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
80.77

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4171406

Name:
1-(4-(2-methoxy-4-methylphenoxy)-2-((4-morpholinophenyl)amino)pyrimidin-5-yShow More⌵

Mol. Formula:
C30H32N6O5

M.W.:
556.62

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
119.10

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4171175

Name:
1-(2-(3,5-dimethoxyphenylamino)-4-(2-methoxy-4-methylphenoxy)pyrimidin-5-ylShow More⌵

Mol. Formula:
C28H29N5O6

M.W.:
531.57

Type:
Small molecule

AlogP:
6.00

Polar Surface Area:
125.09

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4170806

Name:
N-(2-(3,5-dimethoxyphenylamino)-4-(2-methoxy-4-methylphenoxy)pyrimidin-5-ylShow More⌵

Mol. Formula:
C29H30N4O7

M.W.:
546.58

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
122.29

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4168838

Name:
(E)-5-((3-chlorobenzylidene)amino)-4-(2-methoxy-4-methylphenoxy)-N-(4-morphShow More⌵

Mol. Formula:
C29H28ClN5O3

M.W.:
530.03

Type:
Small molecule

AlogP:
6.57

Polar Surface Area:
81.10

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4168389

Name:
4-(2-Methoxy-4-methylphenoxy)-N2-(4-morpholinophenyl)-N5-(3-(trifluoromethoShow More⌵

Mol. Formula:
C30H30F3N5O4

M.W.:
581.60