Compounds

ALA4878042

Name:
8-bromo-2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)b
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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)quin
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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
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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-
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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
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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-
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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-
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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
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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-
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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)quinazo
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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)
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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

ALA4859215

Name:
6-bromo-2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)b
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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
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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
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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

ALA4856257

Name:
5-bromo-2-(1-((3S,5R)-3,5-dimethylpiperazin-1-yl)b
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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

ALA4790988

Name:
2-(2-methoxyethylamino)-9-methyl-6-(3-(5-methyl-1,
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Mol. Formula:
C20H23N7O2

M.W.:
393.45

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
100.28

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4790433

Name:
9-Methyl-6-(3-(5-methyl-1,3,4-oxadiazol-2-yl)pheny
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Mol. Formula:
C18H18N6O2S

M.W.:
382.45

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
88.25

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4790212

Name:
2-(ethylamino)-9-methyl-6-(4-((3-(methylamino)-1-p
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Mol. Formula:
C27H34N6O2

M.W.:
474.61

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
82.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4862043

Name:
6-bromo-3-ethyl-2-((S)-1-((R)-3-methylpiperazin-1-
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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-
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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