Compounds

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3763332

Name:
4-Chloro-2-[(4-chlorophenyl)carbamoyl]phenyl pheny
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Mol. Formula:
C20H14Cl2N2O3

M.W.:
401.25

51 activity values

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3764996

Name:
4-Chloro-2-[(4-chlorophenyl)carbamoyl]phenyl benzy
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Mol. Formula:
C21H16Cl2N2O3

M.W.:
415.28

51 activity values

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3355711

Name:
N-(2-Chlorophenyl)-5-(octylamino)pyrazine-2-carbox
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Mol. Formula:
C19H25ClN4O

M.W.:
360.89

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3355710

Name:
N-(2-Chlorophenyl)-5-(heptylamino)pyrazine-2-carbo
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Mol. Formula:
C18H23ClN4O

M.W.:
346.86

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3355709

Name:
N-(2-Chlorophenyl)-5-(hexylamino)pyrazine-2-carbox
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Mol. Formula:
C17H21ClN4O

M.W.:
332.83

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3355708

Name:
N-(2-Chlorophenyl)-5-(pentylamino)pyrazine-2-carbo
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Mol. Formula:
C16H19ClN4O

M.W.:
318.81

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3355707

Name:
5-(Butylamino)-N-(2-chlorophenyl)pyrazine-2-carbox
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Mol. Formula:
C15H17ClN4O

M.W.:
304.78

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3355706

Name:
N-(2-Chlorophenyl)-5-(propylamino)pyrazine-2-carbo
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Mol. Formula:
C14H15ClN4O

M.W.:
290.75

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3355696

Name:
5-(Octylamino)-N-phenylpyrazine-2-carboxamide

Mol. Formula:
C19H26N4O

M.W.:
326.44

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3355695

Name:
5-(Heptylamino)-N-phenylpyrazine-2-carboxamide

Mol. Formula:
C18H24N4O

M.W.:
312.42

22 activity values

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3355694

Name:
5-(Hexylamino)-N-phenylpyrazine-2-carboxamide

Mol. Formula:
C17H22N4O

M.W.:
298.39

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3355693

Name:
5-(Pentylamino)-N-phenylpyrazine-2-carboxamide

Mol. Formula:
C16H20N4O

M.W.:
284.36