Compounds

ALA5273513

Name:
2-(ethylamino)-6-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)-6,7,7a,8,9,10-heShow More⌵

Mol. Formula:
C21H23N7O2

M.W.:
405.46

Type:
---

AlogP:
2.90

Polar Surface Area:
100.28

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4878042

Name:
8-bromo-2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)butyl)-3-ethylquinazolin-4Show More⌵

Mol. Formula:
C20H29BrN4O

M.W.:
421.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4877503

Name:
3-(2-methoxyethyl)-2-(1-(piperazin-1-yl)butyl)quinazolin-4(3H)-one

Mol. Formula:
C19H28N4O2

M.W.:
344.46

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
59.39

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4877068

Name:
3-ethyl-2-((S)-1-((S)-3-methylpiperazin-1-yl)butyl)pyrido[4,3-d]pyrimidin-4Show More⌵

Mol. Formula:
C18H27N5O

M.W.:
329.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
63.05

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4875355

Name:
6-bromo-3-ethyl-2-((S)-1-((S)-3-methylpiperazin-1-yl)butyl)quinazolin-4(3H)Show More⌵

Mol. Formula:
C19H27BrN4O

M.W.:
407.36

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4874035

Name:
2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-3-(3-methoxypropyl)quinazoShow More⌵

Mol. Formula:
C21H32N4O2

M.W.:
372.51

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
59.39

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4872266

Name:
2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)butyl)-3-ethyl-4-oxo-3,4-dihydroquShow More⌵

Mol. Formula:
C21H29N5O

M.W.:
367.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
73.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4868703

Name:
2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)butyl)-3-ethyl-7-(pyridin-4-yl)quiShow More⌵

Mol. Formula:
C25H33N5O

M.W.:
419.57

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
63.05

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4865950

Name:
(R)-6-bromo-2-(1-(3,3-dimethylpiperazin-1-yl)butyl)-3-ethylquinazolin-4(3H)Show More⌵

Mol. Formula:
C20H29BrN4O

M.W.:
421.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4864739

Name:
6-bromo-3-ethyl-2-((R)-1-((S)-3-methylpiperazin-1-yl)butyl)quinazolin-4(3H)Show More⌵

Mol. Formula:
C19H27BrN4O

M.W.:
407.36

14 activity values

14 unique targets

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4864021

Name:
3-(2-methoxyethyl)-2-(piperazin-1-ylmethyl)quinazolin-4(3H)-one

Mol. Formula:
C16H22N4O2

M.W.:
302.38

3 activity values

2 unique targets

Type:
Unknown

AlogP:
0.45

Polar Surface Area:
59.39

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4863591

Name:
3-benzyl-2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)butyl)quinazolin-4(3H)-onShow More⌵

Mol. Formula:
C25H32N4O

M.W.:
404.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4862495

Name:
2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)butyl)-3-(furan-2-ylmethyl)quinazoShow More⌵

Mol. Formula:
C23H30N4O2

M.W.:
394.52

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
63.30

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4862112

Name:
2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)butyl)-3-ethyl-6-(ethylamino)quinaShow More⌵

Mol. Formula:
C22H35N5O

M.W.:
385.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
62.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4862043

Name:
6-bromo-3-ethyl-2-((S)-1-((R)-3-methylpiperazin-1-yl)butyl)quinazolin-4(3H)Show More⌵

Mol. Formula:
C19H27BrN4O

M.W.:
407.36

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4861892

Name:
2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)butyl)-3-(2-methoxyethyl)quinazoliShow More⌵

Mol. Formula:
C21H32N4O2

M.W.:
372.51

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
59.39

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4860994

Name:
2-(1-(3,8-diazabicyclo[3.2.1]octan-3-yl)butyl)-6-bromo-3-ethylquinazolin-4(Show More⌵

Mol. Formula:
C20H27BrN4O

M.W.:
419.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4859215

Name:
6-bromo-2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)butyl)-3-ethylquinazolin-4Show More⌵

Mol. Formula:
C20H29BrN4O

M.W.:
421.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
50.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4858331

Name:
3-ethyl-2-((R)-1-((S)-3-methylpiperazin-1-yl)butyl)pyrido[4,3-d]pyrimidin-4Show More⌵

Mol. Formula:
C18H27N5O

M.W.:
329.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
63.05

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4856994

Name:
2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)pentyl)-3-(2-methoxyethyl)quinazolShow More⌵

Mol. Formula:
C22H34N4O2

M.W.:
386.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
59.39

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.76

DETAILS