Compounds

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4520598

Name:
(4-(6-methylquinazolin-4-yl)piperidin-1-yl)(4-(tri
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Mol. Formula:
C22H20F3N3O2

M.W.:
415.42

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
55.32

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4535758

Name:
6,7-Dimethoxy-4-{1-[4-(trifluoromethoxy)benzoyl]pi
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Mol. Formula:
C23H22F3N3O4

M.W.:
461.44

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
73.78

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4557683

Name:
4-(2-Chloro-6-fluorobenzoyl)-N-(pyridin-4-yl)-1H-p
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Mol. Formula:
C17H11ClFN3O2

M.W.:
343.75

3 activity values

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4569173

Name:
6,7-dimethoxy-4-(1-(4-(trifluoromethoxy)benzyl)pip
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Mol. Formula:
C23H24F3N3O3

M.W.:
447.46

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
56.71

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4568094

Name:
4-(4-Fluorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrr
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Mol. Formula:
C18H14FN3O2

M.W.:
323.33

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4527483

Name:
4-(2-Bromo-6-fluorobenzoyl)-N-(pyridin-4-yl)-1H-py
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Mol. Formula:
C17H11BrFN3O2

M.W.:
388.20

3 activity values

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4526317

Name:
(4-(7-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrido[3,
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Mol. Formula:
C25H26F3N5O3

M.W.:
501.51

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
91.68

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4526143

Name:
4-(2-Fluorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrr
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Mol. Formula:
C18H14FN3O2

M.W.:
323.33

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4515859

Name:
4-(2,6-Difluorobenzoyl)-N-(pyridin-3-yl)-1H-pyrrol
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Mol. Formula:
C17H11F2N3O2

M.W.:
327.29

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4515161

Name:
(4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl)(5
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Mol. Formula:
C22H21F3N4O4

M.W.:
462.43

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
86.67

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4573138

Name:
(4-tert-butylphenyl)(4-(6,7-dimethoxyquinazolin-4-
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Mol. Formula:
C26H31N3O3

M.W.:
433.55

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
64.55

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4572385

Name:
4-(Benzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-ca
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Mol. Formula:
C18H15N3O2

M.W.:
305.34

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4578343

Name:
4-(3-Chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrr
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Mol. Formula:
C18H14ClN3O2

M.W.:
339.78

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4587463

Name:
(4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl)(2
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Mol. Formula:
C23H22F3N3O4

M.W.:
461.44

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
73.78

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4584254

Name:
(4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl)(3
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Mol. Formula:
C23H22F3N3O4

M.W.:
461.44

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
73.78

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4582824

Name:
(4-(7-methylquinazolin-4-yl)piperidin-1-yl)(4-(tri
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Mol. Formula:
C22H20F3N3O2

M.W.:
415.42

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
55.32

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4582719

Name:
(4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl)(4
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Mol. Formula:
C24H27N3O5

M.W.:
437.50

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
94.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4463304

Name:
4-(2-Chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrr
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Mol. Formula:
C18H14ClN3O2

M.W.:
339.78

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4459339

Name:
(4-(6-methoxyisoquinolin-1-yl)piperidin-1-yl)(4-(t
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Mol. Formula:
C23H21F3N2O3

M.W.:
430.43