Compounds

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
87.38

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3799727

Name:
N-[3-(2-Amino-5-chlorophenyl)-3-hydroxypropyl]-N'-
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Mol. Formula:
C13H20ClN3O2

M.W.:
285.77

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
87.38

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3799003

Name:
N-[3-(2-Amino-5-chlorophenyl)-3-hydroxypropyl]-N'-
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Mol. Formula:
C12H18ClN3O2

M.W.:
271.75

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
87.38

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3799105

Name:
N-[3-(2-Amino-5-chlorophenyl)-3-hydroxypropyl]-N'-
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Mol. Formula:
C13H20ClN3OS

M.W.:
301.84

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
70.31

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3798324

Name:
N-[3-(2-Amino-5-chlorophenyl)-3-hydroxypropyl]-N'-
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Mol. Formula:
C12H18ClN3OS

M.W.:
287.82

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
70.31

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3798072

Name:
N-[3-(2-Amino-5-chlorophenyl)-3-hydroxypropyl]-N'-
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Mol. Formula:
C11H16ClN3OS

M.W.:
273.79

Type:
Small molecule

AlogP:
1.44

Polar Surface Area:
70.31

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3798348

Name:
N-[3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl]-N'
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Mol. Formula:
C17H21N3O3

M.W.:
315.37

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
96.61

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3799791

Name:
N-[3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl]-N'
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Mol. Formula:
C14H23N3O3

M.W.:
281.36

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
96.61

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3798340

Name:
N-[3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl]-N'
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Mol. Formula:
C13H21N3O3

M.W.:
267.33

Type:
Small molecule

AlogP:
1.02

Polar Surface Area:
96.61

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3797791

Name:
N-[3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl]-N'
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Mol. Formula:
C14H23N3O2S

M.W.:
297.42

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
79.54

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3800011

Name:
N-[3-(2-Aminophenyl)-3-hydroxypropyl]-N'-phenylure
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Mol. Formula:
C16H19N3O2

M.W.:
285.35

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
87.38

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3797491

Name:
N-[3-(2-Aminophenyl)-3-hydroxypropyl]-N'-propylure
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Mol. Formula:
C13H21N3O2

M.W.:
251.33

Type:
Small molecule

AlogP:
1.40

Polar Surface Area:
87.38

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3799648

Name:
N-[3-(2-Aminophenyl)-3-hydroxypropyl]-N'-ethylurea

Mol. Formula:
C12H19N3O2

M.W.:
237.30

Type:
Small molecule

AlogP:
1.01

Polar Surface Area:
87.38

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3799119

Name:
N-[3-(2-Aminophenyl)-3-hydroxypropyl]-N'-propylthi
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Mol. Formula:
C13H21N3OS

M.W.:
267.40

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
70.31

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3799993

Name:
N-[3-(2-Aminophenyl)-3-hydroxypropyl]-N'-ethylthio
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Mol. Formula:
C12H19N3OS

M.W.:
253.37

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
70.31

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3798114

Name:
N-[3-(2-Aminophenyl)-3-hydroxypropyl]-N'-methylthi
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Mol. Formula:
C11H17N3OS

M.W.:
239.34

Type:
Small molecule

AlogP:
0.79

Polar Surface Area:
70.31

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3799038

Name:
1-(3-(2-amino-5-chlorophenyl)-3-oxopropyl)-3-ethyl
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Mol. Formula:
C12H16ClN3O2

M.W.:
269.73

6 activity values

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
84.22

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3798462

Name:
1-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-3-meth
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Mol. Formula:
C12H17N3O2S

M.W.:
267.35