Compounds

ALA215363

Name:
N-(2-(benzo[d][1,3]dioxol-5-yl)-1H-benzo[d]imidazo
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Mol. Formula:
C21H14ClN3O3

M.W.:
391.81

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
76.24

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA386087

Name:
2-chloro-N-(3-{5-[(2-chlorobenzene)amido]-1H-1,3-b
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Mol. Formula:
C27H18Cl2N4O2

M.W.:
501.37

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.04

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA213665

Name:
2-chloro-N-(2-{4-[(2-methylbenzene)amido]phenyl}-1
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Mol. Formula:
C28H21ClN4O2

M.W.:
480.96

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.70

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA384623

Name:
2-chloro-N-(2-{4-[(2-fluorobenzene)amido]phenyl}-1
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Mol. Formula:
C27H18ClFN4O2

M.W.:
484.92

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.53

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA215539

Name:
N-[2-(4-benzoylamino-phenyl)-1H-benzoimidazol-5-yl
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Mol. Formula:
C27H19ClN4O2

M.W.:
466.93

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.39

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA386447

Name:
2-chloro-N-(2-(3,5-dichloro-2-hydroxyphenyl)-1H-be
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Mol. Formula:
C20H12Cl3N3O2

M.W.:
432.69

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.15

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA384066

Name:
2-chloro-N-(2-(1-(4-fluorophenyl)-1H-pyrazol-4-yl)
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Mol. Formula:
C23H15ClFN5O

M.W.:
431.86

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
75.60

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA214445

Name:
2-chloro-N-(4-(5-(cyclobutanecarboxamido)-1H-benzo
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Mol. Formula:
C25H21ClN4O2

M.W.:
444.92

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA213426

Name:
2-chloro-N-(4-(5-isobutyramido-1H-benzo[d]imidazol
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Mol. Formula:
C24H21ClN4O2

M.W.:
432.91

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA385936

Name:
2-chloro-N-(4-(5-(1-methylcyclopropanecarboxamido)
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Mol. Formula:
C25H21ClN4O2

M.W.:
444.92

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA214457

Name:
2-chloro-N-(4-(5-(2,2-difluorocyclopropanecarboxam
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Mol. Formula:
C24H17ClF2N4O2

M.W.:
466.88

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA386138

Name:
2-chloro-N-(4-(5-(cyclopropanecarboxamido)-1H-benz
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Mol. Formula:
C24H19ClN4O2

M.W.:
430.90

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA384232

Name:
2-chloro-N-(4-(5-(2-chlorobenzamido)-1H-benzo[d]im
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Mol. Formula:
C26H17Cl2N5O2

M.W.:
502.36

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
99.77

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA212336

Name:
2-chloro-N-(4-(5-((1S,2R)-2-fluorocyclopropanecarb
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Mol. Formula:
C24H18ClFN4O2

M.W.:
448.89

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA214374

Name:
2-chloro-N-(4-(5-pivalamido-1H-benzo[d]imidazol-2-
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Mol. Formula:
C25H23ClN4O2

M.W.:
446.94

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.12

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA424715

Name:
2-chloro-N-(4-(5-(cyclopentanecarboxamido)-1H-benz
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Mol. Formula:
C26H23ClN4O2

M.W.:
458.95

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.26

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA214562

Name:
2-chloro-N-(4-(5-(1-phenylcyclopropanecarboxamido)
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Mol. Formula:
C30H23ClN4O2

M.W.:
506.99

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.81

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA215498

Name:
2-chloro-N-(4-(5-(1-cyanocyclopropanecarboxamido)-
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Mol. Formula:
C25H18ClN5O2

M.W.:
455.91

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
110.67

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS