Compounds

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
101.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3108868

Name:
2-(3-chloro-4-fluorophenyl)-N-(4-(N-thiazol-2-ylsu
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Mol. Formula:
C17H13ClFN3O3S2

M.W.:
425.89

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
88.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3108867

Name:
2-(3,4-dichlorophenyl)-N-(4-(N-thiazol-2-ylsulfamo
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Cas Number:
1004000-82-1

Mol. Formula:
C17H13Cl2N3O3S2

M.W.:
442.35

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
88.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3108866

Name:
2-(3,4-dichlorophenyl)-N-(4-(N-(3-(dimethylamino)p
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Mol. Formula:
C22H21Cl2N3O3S

M.W.:
478.40

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3108865

Name:
2-(3,4-dichlorophenyl)-N-(4-(N-(3-hydroxyphenyl)su
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Mol. Formula:
C20H16Cl2N2O4S

M.W.:
451.33

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
95.50

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3108864

Name:
2-(3,4-dichlorophenyl)-N-(4-(N-pyrimidin-5-ylsulfa
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Mol. Formula:
C18H14Cl2N4O3S

M.W.:
437.31

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
101.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3108863

Name:
4-(4-(2-(3,4-dichlorophenyl)acetamido)phenylsulfon
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Mol. Formula:
C21H16Cl2N2O5S

M.W.:
479.34

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
112.57

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3108862

Name:
Ethyl 3-(4-(2-(3,4-dichlorophenyl)acetamido)phenyl
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Mol. Formula:
C23H20Cl2N2O5S

M.W.:
507.40

2 activity values

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
101.57

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3108861

Name:
3-(4-(2-(3,4-dichlorophenyl)acetamido)phenylsulfon
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Mol. Formula:
C21H16Cl2N2O5S

M.W.:
479.34

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
112.57

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3108860

Name:
2-(3,4-dichlorophenyl)-N-(4-(N-(1,3-dimethyl-1H-py
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Mol. Formula:
C19H18Cl2N4O3S

M.W.:
453.35

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
93.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3108859

Name:
N-(4-(N-1H-pyrazol-3-ylsulfamoyl)phenyl)-2-(3,4-di
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Mol. Formula:
C17H14Cl2N4O3S

M.W.:
425.30

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
103.95

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3108857

Name:
2-(3,4-dichlorophenyl)-N-(4-(N-phenylsulfamoyl)phe
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Mol. Formula:
C20H16Cl2N2O3S

M.W.:
435.33

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3108856

Name:
4-(2-(3,4-dichlorophenyl)acetamido)benzenesulfonic
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Mol. Formula:
C14H11Cl2NO4S

M.W.:
360.22

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3108855

Name:
2-(3,4-dichlorophenyl)-2-methyl-N-(4-(N-(5-methyli
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Mol. Formula:
C20H19Cl2N3O4S

M.W.:
468.36

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
101.30

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3108854

Name:
3-(3,4-dichlorophenyl)-N-(4-(N-(5-methylisoxazol-3
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Mol. Formula:
C19H17Cl2N3O4S

M.W.:
454.34

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
101.30

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3108853

Name:
3,4-dichloro-N-(4-(N-(5-methylisoxazol-3-yl)sulfam
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Mol. Formula:
C17H13Cl2N3O4S

M.W.:
426.28

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
101.30

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3108852

Name:
N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)-2
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Mol. Formula:
C22H19N3O4S

M.W.:
421.48

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
101.30

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3108851

Name:
2-(4-methoxy-3-methylphenyl)-N-(4-(N-(5-methylisox
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Mol. Formula:
C20H21N3O5S

M.W.:
415.47

5 activity values

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
110.53

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3108850

Name:
2-(3,4-dimethylphenyl)-N-(4-(N-(5-methylisoxazol-3
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Mol. Formula:
C20H21N3O4S

M.W.:
399.47

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
101.30

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3108849

Name:
2-(3-fluoro-4-methylphenyl)-N-(4-(N-(5-methylisoxa
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Mol. Formula:
C19H18FN3O4S

M.W.:
403.44