Compounds

Type:
---

AlogP:
4.02

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5179629

Name:
N-{3-(2-fluoroethoxy)phenyl}-N-methyl-4-chlorocinnamamide

Mol. Formula:
C18H17ClFNO2

M.W.:
333.79

Type:
---

AlogP:
4.36

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5177152

Name:
N-{3-(3-fluoropropoxy)phenyl}-N-methyl-4-chlorocinnamamide

Mol. Formula:
C19H19ClFNO2

M.W.:
347.82

Type:
---

AlogP:
4.75

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4778235

Name:
N-(1H-indazol-5-ylmethyl)-5Z,8Z,11Z,14Z-eicosatetraenamide

Mol. Formula:
C28H39N3O

M.W.:
433.64

Type:
Unknown

AlogP:
7.32

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4747170

Name:
N-(3-hydroxy-4-methoxyphenyl)-5Z,8Z,11Z,14Z-eicosatetraenamide

Mol. Formula:
C27H39NO3

M.W.:
425.61

Type:
Unknown

AlogP:
7.49

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4449949

Name:
2-(4-hydroxy-3-methoxybenzylamino)-2-oxoethyl 4,8,13,17,21-pentamethyldocosShow More⌵

Mol. Formula:
C37H55NO5

M.W.:
593.85

Type:
Unknown

AlogP:
9.21

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4129787

Name:
trans-(R)-3-(4-tert-butylphenyl)-N-(1-(4-(methylsulfonamido)phenyl)ethyl)acShow More⌵

Mol. Formula:
C22H28N2O3S

M.W.:
400.54

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4129772

Name:
(R)-3-(4-tert-butylphenyl)-N-(1-(4-(methylsulfonamido)phenyl)ethyl)propanetShow More⌵

Mol. Formula:
C22H30N2O2S2

M.W.:
418.63

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4129651

Name:
trans-(R)-3-(4-tert-butylphenyl)-N-(1-(4-(methylsulfonamido)phenyl)ethyl)prShow More⌵

Mol. Formula:
C22H28N2O2S2

M.W.:
416.61

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4129117

Name:
(R,E)-2-(4-tert-butylphenoxy)-N'-cyano-N-(1-(4-(methylsulfonamido)phenyl)etShow More⌵

Mol. Formula:
C22H28N4O3S

M.W.:
428.56

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
103.58

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4128556

Name:
(R)-3-(4-tert-butylphenyl)-N-(1-(4-(methylsulfonamido)phenyl)ethyl)propanamShow More⌵

Mol. Formula:
C22H30N2O3S

M.W.:
402.56

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4128423

Name:
(R)-2-(4-tert-butylphenoxy)-N-(1-(3-fluoro-4-(methylsulfonamido)phenyl)ethyShow More⌵

Mol. Formula:
C21H27FN2O4S

M.W.:
422.52

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4128404

Name:
(R)-2-(4-tert-butylphenoxy)-N-(1-(4-(methylsulfonamido)phenyl)ethyl)acetamiShow More⌵

Mol. Formula:
C21H28N2O4S

M.W.:
404.53

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4127584

Name:
trans-(R)-3-(4-tert-butylphenyl)-N-(1-(3-fluoro-4-(methylsulfonamido)phenylShow More⌵

Mol. Formula:
C23H29FN2O3S

M.W.:
432.56

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4127436

Name:
trans-(R)-3-(4-tert-butylphenyl)-2-methyl-N-(1-(4-(methylsulfonamido)-3-vinShow More⌵

Mol. Formula:
C25H32N2O3S

M.W.:
440.61

3 activity values

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4127168

Name:
rac-3-(4-tert-butylphenyl)-2-methyl-N-((R)-1-(4-(methylsulfonamido)phenyl)eShow More⌵

Mol. Formula:
C23H32N2O3S

M.W.:
416.59

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4126363

Name:
(R)-3-(4-tert-butylphenyl)-N-(1-(4-(methylsulfonamido)phenyl)ethyl)propiolaShow More⌵

Mol. Formula:
C22H26N2O3S

M.W.:
398.53

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4126214

Name:
trans-(R)-3-(4-tert-butylphenyl)-2-methyl-N-(1-(4-(methylsulfonamido)phenylShow More⌵

Mol. Formula:
C23H30N2O3S

M.W.:
414.57

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4125928

Name:
(R)-N-(4-(1-(3-(4-tert-butylbenzyl)ureido)ethyl)phenyl)methanesulfonamide

Mol. Formula:
C21H29N3O3S

M.W.:
403.55

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4125820

Name:
(R)-2-(4-tert-butylphenoxy)-N-(1-(4-(methylsulfonamido)phenyl)ethyl)ethanetShow More⌵

Mol. Formula:
C21H28N2O3S2

M.W.:
420.60