Compounds

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
65.54

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA552328

Name:
11-(4-Methoxybenzyl)-N9,N9-dimethyl-11H-benzo[g]py
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Mol. Formula:
C25H24N4O

M.W.:
396.49

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
56.31

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA551867

Name:
N2,N2,9-Trimethyl-9H-pyrido[2,3-b]indole-2,4-diami
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Mol. Formula:
C14H16N4

M.W.:
240.31

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
47.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA555831

Name:
N2,N2-Dimethyl-9H-pyrido[2,3-b]indole-2,4-diamine

Mol. Formula:
C13H14N4

M.W.:
226.28

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
57.94

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA560723

Name:
1-Benzyl-N6,N6-dimethyl-2,3-diphenyl-1H-pyrrolo[2,
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Mol. Formula:
C28H26N4

M.W.:
418.54

11 activity values

Type:
Small molecule

AlogP:
6.07

Polar Surface Area:
47.08

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA508642

Name:
2-(benzimidazol-1-yl)-3-(4-nitrophenyl)-acrylonitr
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Mol. Formula:
C16H10N4O2

M.W.:
290.28

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
84.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA452337

Name:
2-(Benzimidazol-2-yl)-3-(pyridin-4-yl)acrylonitril
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Mol. Formula:
C15H10N4

M.W.:
246.27

38 activity values

31 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
65.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA452328

Name:
2-(Benzimidazol-2-yl)-3-(pyridin-3-yl)-acrylonitri
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Mol. Formula:
C15H10N4

M.W.:
246.27

47 activity values

32 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
65.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA447255

Name:
2-(Benzimidazol-2-yl)-3-(pyridin-2-yl)acrylonitril
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Mol. Formula:
C15H10N4

M.W.:
246.27

15 activity values

13 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
65.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA455419

Name:
2-(Benzimidazol-2-yl)-3-(5-bromothiophen-3-yl)-acr
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Mol. Formula:
C14H8BrN3S

M.W.:
330.21

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
52.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA486867

Name:
2-(Benzoimidazol-2-yl)-3-(3-thiophen-3-yl)-acrylon
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Mol. Formula:
C14H9N3S

M.W.:
251.31

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
52.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA519890

Name:
2-(Benzimidazol-2-yl)-3-(5-methoxythiopen-2-yl)acr
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Mol. Formula:
C15H11N3OS

M.W.:
281.34

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
61.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA486866

Name:
2-(5,6-Dimethylbenzimidazol-2-yl)-3-(5-nitrothioph
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Mol. Formula:
C16H12N4O2S

M.W.:
324.37

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
95.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA454419

Name:
2-(1H-Benzimidazol-1-yl)-N-[(hydroxy-(5-nitrothiop
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Mol. Formula:
C14H12N4O4S

M.W.:
332.34

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
110.29

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA454418

Name:
2-(1H-benzimidazol-1-yl)-N-[(hydroxy-(5-nitrofuran
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Mol. Formula:
C14H12N4O5

M.W.:
316.27

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
123.43

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA451824

Name:
2-(Benzimidazol-1-yl)-3-(3-nitrophenyl)-acrylonitr
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Mol. Formula:
C16H10N4O2

M.W.:
290.28