Compounds

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
89.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA187200

Name:
4-Chloro-N-(2-chloro-4-hydroxy-benzoyl)-benzenesul
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Mol. Formula:
C13H9Cl2NO4S

M.W.:
346.19

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA186746

Name:
N-(3-Bromo-benzoyl)-4-chloro-benzenesulfonamide

Mol. Formula:
C13H9BrClNO3S

M.W.:
374.64

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA186707

Name:
4-Chloro-N-(2-nitro-4-trifluoromethyl-benzoyl)-ben
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Mol. Formula:
C14H8ClF3N2O5S

M.W.:
408.74

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
106.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA186218

Name:
4-Chloro-N-(4-chloro-2-ethyl-benzoyl)-benzenesulfo
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Mol. Formula:
C15H13Cl2NO3S

M.W.:
358.25

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA187388

Name:
4-Chloro-N-(2-chloro-4-nitro-benzoyl)-benzenesulfo
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Mol. Formula:
C13H8Cl2N2O5S

M.W.:
375.19

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
106.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA363763

Name:
4-Chloro-N-(3,5-dichloro-benzoyl)-benzenesulfonami
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Mol. Formula:
C13H8Cl3NO3S

M.W.:
364.64

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA187769

Name:
4-Chloro-N-(2-methyl-benzoyl)-benzenesulfonamide

Cas Number:
791618-47-8

Mol. Formula:
C14H12ClNO3S

M.W.:
309.77

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.95

DETAILS

ALA189072

Name:
N-(4-Bromo-2-methyl-benzoyl)-4-chloro-benzenesulfo
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Mol. Formula:
C14H11BrClNO3S

M.W.:
388.67

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA185679

Name:
N-(2,4-Dichloro-benzoyl)-4-fluoro-benzenesulfonami
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Mol. Formula:
C13H8Cl2FNO3S

M.W.:
348.18

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA187192

Name:
3-Bromo-N-(2,4-dichloro-benzoyl)-benzenesulfonamid
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Cas Number:
477843-37-1

Mol. Formula:
C13H8BrCl2NO3S

M.W.:
409.09

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA186217

Name:
3,5-Dichloro-N-(2,4-dichloro-benzoyl)-benzenesulfo
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Mol. Formula:
C13H7Cl4NO3S

M.W.:
399.08

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA433578

Name:
2-Bromo-N-(2,4-dichloro-benzoyl)-4-methyl-benzenes
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Mol. Formula:
C14H10BrCl2NO3S

M.W.:
423.12

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA360177

Name:
Biphenyl-3-sulfonic acid 2,4-dichloro-benzoylamide

Mol. Formula:
C19H13Cl2NO3S

M.W.:
406.29

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA365284

Name:
3,4-Dibromo-N-(2,4-dichloro-benzoyl)-benzenesulfon
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Mol. Formula:
C13H7Br2Cl2NO3S

M.W.:
487.98

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA186516

Name:
N-(2,4-Dichloro-benzoyl)-3-methyl-benzenesulfonami
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Mol. Formula:
C14H11Cl2NO3S

M.W.:
344.22

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA189026

Name:
4-Chloro-N-(2-chloro-4-cyano-benzoyl)-benzenesulfo
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Mol. Formula:
C14H8Cl2N2O3S

M.W.:
355.20

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
87.03

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA188975

Name:
4-Bromo-N-(2,4-dichloro-benzoyl)-benzenesulfonamid
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Mol. Formula:
C13H8BrCl2NO3S

M.W.:
409.09

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA362085

Name:
N-(2-Bromo-4-chloro-benzoyl)-4-chloro-benzenesulfo
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Mol. Formula:
C13H8BrCl2NO3S

M.W.:
409.09

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA189757

Name:
4-Chloro-N-(4-dimethylamino-benzoyl)-benzenesulfon
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Mol. Formula:
C15H15ClN2O3S

M.W.:
338.82