Compounds

ALA5271901

Name:
(R)-6-(1-acetylpiperidin-4-yl)-4-((1-(3-aminophenyl)ethyl)amino)-8-methylpyShow More⌵

Mol. Formula:
C23H28N6O2

M.W.:
420.52

Type:
---

AlogP:
2.81

Polar Surface Area:
106.14

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5270449

Name:
(R)-6-amino-4-((1-(3-amino-5-(trifluoromethyl)phenyl)ethyl)amino)-8-methylpShow More⌵

Mol. Formula:
C17H17F3N6O

M.W.:
378.36

Type:
---

AlogP:
2.68

Polar Surface Area:
111.85

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5270088

Name:
(R)-N-(4-((1-(3-amino-5-(trifluoromethyl)phenyl)ethyl)amino)-8-methyl-7-oxoShow More⌵

Mol. Formula:
C19H19F3N6O2

M.W.:
420.40

Type:
---

AlogP:
3.06

Polar Surface Area:
114.93

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5269963

Name:
(R)-6-(1-acetylpiperidin-4-yl)-4-((1-(3-amino-5-(trifluoromethyl)phenyl)ethShow More⌵

Mol. Formula:
C26H31F3N6O2

M.W.:
516.57

Type:
---

AlogP:
4.70

Polar Surface Area:
106.14

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5268234

Name:
rac-N-(1-(4-(2-aminophenyl)thiophen-2-yl)ethyl)-6,7-dimethoxyquinazolin-4-aShow More⌵

Mol. Formula:
C22H22N4O2S

M.W.:
406.51

Type:
---

AlogP:
5.13

Polar Surface Area:
82.29

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5281607

Name:
6-(1-acetylpiperidin-4-yl)-4-((3-amino-5-(trifluoromethyl)benzyl)amino)-8-mShow More⌵

Mol. Formula:
C23H25F3N6O2

M.W.:
474.49

Type:
---

AlogP:
3.27

Polar Surface Area:
106.14

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5281380

Name:
rac-6,7-dimethoxy-N-(1-(5-(2-((methylamino)methyl)phenyl)thiophen-2-yl)ethyShow More⌵

Mol. Formula:
C24H26N4O2S

M.W.:
434.57

Type:
---

AlogP:
5.27

Polar Surface Area:
68.30

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5280958

Name:
rac-2-((2-(5-(1-((6,7-dimethoxyquinazolin-4-yl)amino)ethyl)thiophen-3-yl)beShow More⌵

Mol. Formula:
C25H28N4O3S

M.W.:
464.59

Type:
---

AlogP:
4.63

Polar Surface Area:
88.53

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5280771

Name:
rac-2-methyl-N-(1-(5-(2-((methylamino)methyl)phenyl)thiophen-2-yl)ethyl)-7,Show More⌵

Mol. Formula:
C25H26N4O2S

M.W.:
446.58

Type:
---

AlogP:
5.33

Polar Surface Area:
68.30

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5280579

Name:
rac-2-((2-(5-(1-((7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)amino)ethyShow More⌵

Mol. Formula:
C25H26N4O3S

M.W.:
462.58

Type:
---

AlogP:
4.38

Polar Surface Area:
88.53

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5280533

Name:
(R)-4-((1-(3-amino-5-(trifluoromethyl)phenyl)ethyl)amino)-8-methyl-6-(pyridShow More⌵

Mol. Formula:
C22H19F3N6O

M.W.:
440.43

Type:
---

AlogP:
4.16

Polar Surface Area:
98.72

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5280431

Name:
(R)-4-((1-(3-amino-5-(trifluoromethyl)phenyl)ethyl)amino)-8-methyl-6-(piperShow More⌵

Mol. Formula:
C22H25F3N6O

M.W.:
446.48

Type:
---

AlogP:
3.57

Polar Surface Area:
97.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5279258

Name:
rac-2-((2-(5-(1-((7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)amino)ethyShow More⌵

Mol. Formula:
C25H26N4O3S

M.W.:
462.58

Type:
---

AlogP:
4.38

Polar Surface Area:
88.53

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5279160

Name:
(R)-3-(1-((6-(1-acetylpiperidin-4-yl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-Show More⌵

Mol. Formula:
C25H28N6O2

M.W.:
444.54

Type:
---

AlogP:
3.41

Polar Surface Area:
103.91

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5279147

Name:
(R)-6-(1-acetylpiperidin-4-yl)-8-methyl-4-((1-(3-(trifluoromethyl)phenyl)etShow More⌵

Mol. Formula:
C24H26F3N5O2

M.W.:
473.50

Type:
---

AlogP:
4.25

Polar Surface Area:
80.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5278712

Name:
rac-N-(1-(5-(2-((methylamino)methyl)phenyl)thiophen-2-yl)ethyl)-7,8-dihydroShow More⌵

Mol. Formula:
C24H24N4O2S

M.W.:
432.55

Type:
---

AlogP:
5.02

Polar Surface Area:
68.30

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5278156

Name:
rac-2-methyl-N-(1-(4-(2-((methylamino)methyl)phenyl)thiophen-2-yl)ethyl)-7,Show More⌵

Mol. Formula:
C25H26N4O2S

M.W.:
446.58

Type:
---

AlogP:
5.33

Polar Surface Area:
68.30

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5277811

Name:
rac-N-(1-(5-(2-aminophenyl)thiophen-2-yl)ethyl)-6,7-dimethoxyquinazolin-4-aShow More⌵

Mol. Formula:
C22H22N4O2S

M.W.:
406.51

Type:
---

AlogP:
5.13

Polar Surface Area:
82.29

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5276687

Name:
rac-2-(5-(1-((6,7-dimethoxyquinazolin-4-yl)amino)ethyl)thiophen-3-yl)phenol

Mol. Formula:
C22H21N3O3S

M.W.:
407.50

Type:
---

AlogP:
5.25

Polar Surface Area:
76.50

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5276115

Name:
rac-2-(5-(1-((6,7-dimethoxyquinazolin-4-yl)amino)ethyl)thiophen-2-yl)benzamShow More⌵

Mol. Formula:
C23H22N4O3S

M.W.:
434.52

Type:
---

AlogP:
4.65

Polar Surface Area:
99.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS