Compounds

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
118.97

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4094738

Name:
2-(4-((S)-3-(((R)-1-(naphthalene-1-yl)ethyl)amino)
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Mol. Formula:
C24H27N3O4S

M.W.:
453.56

6 activity values

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
98.74

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4101097

Name:
N-(2-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)
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Mol. Formula:
C29H38N4O4

M.W.:
506.65

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
117.09

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4100132

Name:
N-(4-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)
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Mol. Formula:
C31H42N4O4

M.W.:
534.70

7 activity values

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
117.09

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4092377

Name:
2-(4-((S)-3-(((R)-1-(naphthalen-1-yl)ethyl)amino)p
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Mol. Formula:
C25H29N3O4S

M.W.:
467.59

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
98.74

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4091950

Name:
4-(4-((S)-3-(((R)-1-(naphthalen-1-yl)ethyl)amino)p
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Mol. Formula:
C26H29N3O5S

M.W.:
495.60

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
115.81

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4086045

Name:
1-(2-(4-((S)-3-(((R)-1-(naphthalen-1-yl)ethyl)amin
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Mol. Formula:
C30H31N5O5

M.W.:
541.61

7 activity values

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
136.79

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4084641

Name:
1-(2-(4-((S)-3-(((R)-1-(naphthalen-1-yl)ethyl)amin
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Mol. Formula:
C29H31N5O6S

M.W.:
577.66

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
153.86

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3986052

Name:
US9253997, 32

Mol. Formula:
C19H21Cl2N3O6S

M.W.:
490.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
158.82

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4072950

Name:
4-((S)-3-((R)-1-(naphthalen-1-yl)ethylamino)pyrrol
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Mol. Formula:
C22H25N3O2S

M.W.:
395.53

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
75.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4071600

Name:
1-(3-(4-((S)-3-(((R)-1-(naphthalen-1-yl)ethyl)amin
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Mol. Formula:
C32H40N4O3

M.W.:
528.70

20 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
84.91

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4070562

Name:
(R)-6-amino-2-(4-((S)-3-(((R)-1-(naphthalen-1-yl)e
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Mol. Formula:
C29H36N4O3

M.W.:
488.63

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
107.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4069946

Name:
3-(4-((S)-3-(((R)-1-(naphthalen-1-yl)ethyl)amino)p
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Mol. Formula:
C25H27N3O5S

M.W.:
481.57

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
115.81

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4062970

Name:
N,N,N-trimethyl-2-(4-((S)-3-(((R)-1-(naphthalen-1-
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Mol. Formula:
C28H37ClN4O

M.W.:
481.08

6 activity values

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
44.37

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4060025

Name:
N-(2-aminoethyl)-4-((S)-3-(((R)-1-(naphthalen-1-yl
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Mol. Formula:
C25H30N4O

M.W.:
402.54

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
70.39

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4082125

Name:
N-methyl-4-((S)-3-(((R)-1-(naphthalen-1-yl)ethyl)a
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Mol. Formula:
C29H37N3O6

M.W.:
523.63

6 activity values

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
136.73

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4076239

Name:
(4-((S)-3-(((R)-1-(naphthalen-1-yl)ethyl)amino)pyr
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Mol. Formula:
C22H25N2O3P

M.W.:
396.43

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
72.80

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4068107

Name:
2-(4-((S)-3-((R)-1-(naphthalen-1-yl)ethylamino)pyr
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Cas Number:
870963-69-2

Mol. Formula:
C25H27N3O3

M.W.:
417.51

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
81.67

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4067601

Name:
N-(2-(dimethylamino)ethyl)-4-((S)-3-((R)-1-(naphth
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Cas Number:
870966-19-1

Mol. Formula:
C26H34N4O2S

M.W.:
466.65

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
64.68

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4074358

Name:
N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-4-(
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Mol. Formula:
C27H33N3O4

M.W.:
463.58