Compounds

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
63.08

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4878827

Name:
2-Cyclopentyl-4-(quinazolin-4-yl)benzoic Acid

Mol. Formula:
C20H18N2O2

M.W.:
318.38

6 activity values

2 unique targets

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
63.08

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4877634

Name:
2-Cyclopentyl-4-(6-phenylquinolin-4-yl)benzoic Aci
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Mol. Formula:
C27H23NO2

M.W.:
393.49

9 activity values

Type:
Unknown

AlogP:
6.92

Polar Surface Area:
50.19

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4877552

Name:
2-Cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyrimidin-
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Mol. Formula:
C24H21N3O2

M.W.:
383.45

30 activity values

20 unique targets

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
67.49

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4876404

Name:
2-Cyclopentyl-4-(pyrimidin-4-yl)benzoic Acid

Mol. Formula:
C16H16N2O2

M.W.:
268.32

9 activity values

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
63.08

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4875005

Name:
2-Cyclopentyl-4-(5-phenylthieno[2,3-b]pyridin-3-yl
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Mol. Formula:
C25H21NO2S

M.W.:
399.52

7 activity values

Type:
Unknown

AlogP:
6.99

Polar Surface Area:
50.19

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4873692

Name:
2-Cyclopentyl-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin
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Mol. Formula:
C20H20N2O2

M.W.:
320.39

7 activity values

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4870467

Name:
2-Cyclopentyl-4-(2-phenyl-3H-imidazo[4,5-b]pyridin
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Mol. Formula:
C24H21N3O2

M.W.:
383.45

25 activity values

17 unique targets

Type:
Unknown

AlogP:
5.65

Polar Surface Area:
78.87

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4869147

Name:
2-Cyclopentyl-4-(1-methyl-2-phenyl-1H-pyrrolo[2,3-
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Mol. Formula:
C26H24N2O2

M.W.:
396.49

13 activity values

5 unique targets

Type:
Unknown

AlogP:
6.26

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4866741

Name:
2-Cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)b
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Mol. Formula:
C25H21NO3

M.W.:
383.45

9 activity values

Type:
Unknown

AlogP:
6.52

Polar Surface Area:
63.33

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4865562

Name:
2-Cyclopentyl-4-(2-methylquinolin-4-yl)benzoic Aci
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Mol. Formula:
C22H21NO2

M.W.:
331.42

Type:
Unknown

AlogP:
5.57

Polar Surface Area:
50.19

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4863974

Name:
2-Cyclopentyl-4-(3H-imidazo[4,5-b]pyridin-7-yl)ben
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Mol. Formula:
C18H17N3O2

M.W.:
307.35

4 activity values

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
78.87

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4863514

Name:
2-Cyclopentyl-4-(pyrazolo[1,5-a]pyrimidin-3-yl)ben
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Mol. Formula:
C18H17N3O2

M.W.:
307.35

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
67.49

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4857706

Name:
2-Cyclopentyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-
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Mol. Formula:
C24H20N2O2S

M.W.:
400.50

4 activity values

Type:
Unknown

AlogP:
6.38

Polar Surface Area:
63.08

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4857601

Name:
4-(2-Aminopyrimidin-4-yl)-2-cyclopentylbenzoic Aci
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Mol. Formula:
C16H17N3O2

M.W.:
283.33

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
89.10

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4857253

Name:
2-Cyclopentyl-4-(2-(phenylamino)pyrimidin-4-yl)ben
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Mol. Formula:
C22H21N3O2

M.W.:
359.43

11 activity values

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
75.11

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4861792

Name:
2-Cyclopentyl-4-(furo[2,3-b]pyridin-3-yl)benzoic A
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Mol. Formula:
C19H17NO3

M.W.:
307.35

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
63.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4860464

Name:
2-Cyclopentyl-4-(1,6-naphthyridin-4-yl)benzoic Aci
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Mol. Formula:
C20H18N2O2

M.W.:
318.38

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
63.08

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4859861

Name:
2-Cyclopentyl-4-(1-methyl-5-phenyl-1H-pyrrolo[2,3-
Show More⌵

Mol. Formula:
C26H24N2O2

M.W.:
396.49

Type:
Unknown

AlogP:
6.26

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4849143

Name:
2-Cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic A
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Mol. Formula:
C26H22N2O2

M.W.:
394.47

7 activity values