Compounds

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA101466

Name:
5-(Decane-1-sulfonyl)-2-hydroxy-N-(4-nitro-phenyl)-benzamide

Mol. Formula:
C23H30N2O6S

M.W.:
462.57

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
126.61

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA421017

Name:
2-Hydroxy-N-(4-nitro-phenyl)-5-(tetradecane-1-sulfonyl)-benzamide

Mol. Formula:
C27H38N2O6S

M.W.:
518.68

Type:
Small molecule

AlogP:
7.03

Polar Surface Area:
126.61

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA102108

Name:
N-(4-Bromo-phenyl)-5-(dodecane-1-sulfonyl)-2-hydroxy-benzamide

Mol. Formula:
C25H34BrNO4S

M.W.:
524.52

Type:
Small molecule

AlogP:
7.10

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA97879

Name:
5-(Decane-1-sulfonyl)-2-hydroxy-N-(3-trifluoromethyl-phenyl)-benzamide

Mol. Formula:
C24H30F3NO4S

M.W.:
485.57

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA97867

Name:
2-Hydroxy-5-(tetradecane-1-sulfonyl)-N-(3-trifluoromethyl-phenyl)-benzamide

Mol. Formula:
C28H38F3NO4S

M.W.:
541.68

Type:
Small molecule

AlogP:
8.14

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA319664

Name:
5-(Decane-1-sulfonyl)-2-hydroxy-N-(4-trifluoromethyl-phenyl)-benzamide

Mol. Formula:
C24H30F3NO4S

M.W.:
485.57

9 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA318279

Name:
2-Hydroxy-N-(4-nitro-phenyl)-5-(octane-1-sulfonyl)-benzamide

Mol. Formula:
C21H26N2O6S

M.W.:
434.51

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
126.61

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA318622

Name:
2-Hydroxy-5-methanesulfonyl-N-(4-trifluoromethyl-phenyl)-benzamide

Mol. Formula:
C15H12F3NO4S

M.W.:
359.33

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA98755

Name:
N-(4-Bromo-phenyl)-5-(hexane-1-sulfonyl)-2-hydroxy-benzamide

Mol. Formula:
C19H22BrNO4S

M.W.:
440.36

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA98754

Name:
5-(Hexane-1-sulfonyl)-2-hydroxy-N-(4-trifluoromethyl-phenyl)-benzamide

Mol. Formula:
C20H22F3NO4S

M.W.:
429.46

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA421014

Name:
N-(4-Bromo-phenyl)-5-(decane-1-sulfonyl)-2-hydroxy-benzamide

Mol. Formula:
C23H30BrNO4S

M.W.:
496.47

Type:
Small molecule

AlogP:
6.32

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA100268

Name:
5-(Butane-1-sulfonyl)-2-hydroxy-N-(4-trifluoromethyl-phenyl)-benzamide

Mol. Formula:
C18H18F3NO4S

M.W.:
401.41

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA100207

Name:
N-(4-Bromo-phenyl)-2-hydroxy-5-methanesulfonyl-benzamide

Mol. Formula:
C14H12BrNO4S

M.W.:
370.22

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA327735

Name:
2-Hydroxy-5-methanesulfonyl-N-phenyl-benzamide

Mol. Formula:
C14H13NO4S

M.W.:
291.33

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA98981

Name:
5-(Dodecane-1-sulfonyl)-2-hydroxy-N-(4-methoxy-phenyl)-benzamide

Mol. Formula:
C26H37NO5S

M.W.:
475.65

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
92.70

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA98980

Name:
N-(4-Cyano-phenyl)-5-(dodecane-1-sulfonyl)-2-hydroxy-benzamide

Mol. Formula:
C26H34N2O4S

M.W.:
470.64

Type:
Small molecule

AlogP:
6.21

Polar Surface Area:
107.26

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA99304

Name:
5-(Dodecane-1-sulfonyl)-2-hydroxy-N-(3-trifluoromethyl-phenyl)-benzamide

Mol. Formula:
C26H34F3NO4S

M.W.:
513.62

Type:
Small molecule

AlogP:
7.36

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA316497

Name:
5-(Dodecane-1-sulfonyl)-2-hydroxy-N-(4-nitro-phenyl)-benzamide

Mol. Formula:
C25H34N2O6S

M.W.:
490.62

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
126.61

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA98252

Name:
5-(Dodecane-1-sulfonyl)-2-hydroxy-N-(4-trifluoromethyl-phenyl)-benzamide

Mol. Formula:
C26H34F3NO4S

M.W.:
513.62