Compounds

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
132.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2289638

Name:
N-(2-methoxy-5-nitrophenyl)-3-nitrobenzenesulfonam
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Mol. Formula:
C13H11N3O7S

M.W.:
353.31

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
141.68

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2289637

Name:
4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitrobenzene
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Cas Number:
87316-90-3

Mol. Formula:
C14H13N3O6S

M.W.:
351.34

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
132.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289636

Name:
4-methyl-N-(4-methyl-2,5-dinitrophenyl)-3-nitroben
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Mol. Formula:
C14H12N4O8S

M.W.:
396.34

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
175.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2289635

Name:
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzene
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Mol. Formula:
C13H10FN3O6S

M.W.:
355.30

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
132.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289634

Name:
N-(2-chloro-5-nitrophenyl)-4-methyl-3-nitrobenzene
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Cas Number:
87316-89-0

Mol. Formula:
C13H10ClN3O6S

M.W.:
371.76

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
132.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289633

Name:
3-nitro-N-(3-nitrophenyl)benzenesulfonamide

Mol. Formula:
C12H9N3O6S

M.W.:
323.29

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
132.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2289632

Name:
2-nitro-N-(3-nitrophenyl)benzenesulfonamide

Mol. Formula:
C12H9N3O6S

M.W.:
323.29

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
132.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2289631

Name:
4-methyl-3-nitro-N-(3-nitrophenyl)benzenesulfonami
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Mol. Formula:
C13H11N3O6S

M.W.:
337.31

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
132.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2289630

Name:
N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-4-methyl
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Mol. Formula:
C14H9F3N4O8S

M.W.:
450.31

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
175.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2289629

Name:
N-(4-methyl-2-nitrophenyl)-4-nitrobenzenesulfonami
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Mol. Formula:
C13H11N3O6S

M.W.:
337.31

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
132.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2289628

Name:
4-methyl-N-(4-methyl-2-nitrophenyl)-3-nitrobenzene
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Cas Number:
87316-92-5

Mol. Formula:
C14H13N3O6S

M.W.:
351.34

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
132.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289627

Name:
N-(2,4-dinitrophenyl)-4-methyl-3-nitrobenzenesulfo
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Mol. Formula:
C13H10N4O8S

M.W.:
382.31

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
175.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2289626

Name:
N-(2-chloro-4,6-dinitrophenyl)-4-methyl-3-nitroben
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Mol. Formula:
C13H9ClN4O8S

M.W.:
416.76

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
175.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2289625

Name:
4-chloro-N-(2,6-dichloro-4-nitrophenyl)benzenesulf
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Mol. Formula:
C12H7Cl3N2O4S

M.W.:
381.62

3 activity values

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
89.31

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289624

Name:
3-chloro-4-(3,4-dichlorophenylsulfonamido)-N,N-dim
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Mol. Formula:
C15H13Cl3N2O3S

M.W.:
407.71

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2289623

Name:
3-chloro-N,N-dimethyl-4-(3-(trifluoromethyl)phenyl
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Mol. Formula:
C16H14ClF3N2O3S

M.W.:
406.81

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2289622

Name:
N,N-dimethyl-4-(3-(trifluoromethyl)phenylsulfonami
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Mol. Formula:
C16H15F3N2O3S

M.W.:
372.37

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2289621

Name:
methyl 3-chloro-4-(3,4-dichlorophenylsulfonamido)b
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Mol. Formula:
C14H10Cl3NO4S

M.W.:
394.66

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2289620

Name:
methyl 3-chloro-4-(4-chloro-3-(trifluoromethyl)phe
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Mol. Formula:
C15H10Cl2F3NO4S

M.W.:
428.21