Compounds

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4742242

Name:
3-benzyl-6-(pyridin-4-yl)quinazolin-4(3H)-one

Mol. Formula:
C20H15N3O

M.W.:
313.36

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4740635

Name:
3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one

Mol. Formula:
C18H14N4O

M.W.:
302.34

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
63.57

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4776422

Name:
3-benzyl-6-(pyrimidin-5-yl)quinazolin-4(3H)-one

Mol. Formula:
C19H14N4O

M.W.:
314.35

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
60.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4762347

Name:
(S)-3-(1-(3-methoxyphenyl)ethyl)-6-(1H-pyrazol-4-y
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Mol. Formula:
C20H18N4O2

M.W.:
346.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
72.80

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4760734

Name:
N-(4-fluorobenzyl)-3-((4-oxo-6-(1H-pyrazol-4-yl)qu
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Mol. Formula:
C26H20FN5O2

M.W.:
453.48

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4783892

Name:
3-(3-fluoro-4-methoxybenzyl)-6-(1H-pyrazol-4-yl)qu
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Mol. Formula:
C19H15FN4O2

M.W.:
350.35

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
72.80

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4782910

Name:
(R)-3-(1-(3-methoxyphenyl)ethyl)-6-(1H-pyrazol-4-y
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Mol. Formula:
C20H18N4O2

M.W.:
346.39

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
72.80

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4782250

Name:
3-(3-(difluoromethoxy)benzyl)-6-(1H-pyrazol-4-yl)q
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Mol. Formula:
C19H14F2N4O2

M.W.:
368.34

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
72.80

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4753687

Name:
rac-3-(1-(3-methoxyphenyl)-3-(methylamino)propyl)-
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Mol. Formula:
C22H23N5O2

M.W.:
389.46

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
84.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4752236

Name:
3-(3-(4-fluorophenoxy)benzyl)-6-(1H-pyrazol-4-yl)q
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Mol. Formula:
C24H17FN4O2

M.W.:
412.42

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
72.80

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4751285

Name:
3-(4-fluoro-3-methoxybenzyl)-6-(1H-pyrazol-4-yl)qu
Show More⌵

Mol. Formula:
C19H15FN4O2

M.W.:
350.35

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
72.80

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4793755

Name:
3-benzyl-8-fluoro-6-(1H-pyrazol-4-yl)quinazolin-4(
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Mol. Formula:
C18H13FN4O

M.W.:
320.33

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
63.57

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4791786

Name:
3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4(3H)-one

Mol. Formula:
C18H14N4O

M.W.:
302.34

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
63.57

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4790114

Name:
N-(2,6-difluorobenzyl)-4-((4-oxo-6-(1H-pyrazol-4-y
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Mol. Formula:
C26H19F2N5O2

M.W.:
471.47

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4788026

Name:
3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one

Mol. Formula:
C18H14N4O

M.W.:
302.34

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
63.57

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4099309

Name:
N-Benzyl-3-(((4-phenyl-3-(pyridin-4-yl)-1H-pyrazol
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Mol. Formula:
C29H25N5O

M.W.:
459.55

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4098243

Name:
4-(5-((4-Chlorobenzyl)thio)-1H-1,2,4-triazol-3-yl)
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Mol. Formula:
C14H11ClN4S

M.W.:
302.79

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
54.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4098177

Name:
N-Benzyl-3-(((3-(3-(hydroxymethyl)pyridin-4-yl)-1H
Show More⌵

Mol. Formula:
C23H22N6O2

M.W.:
414.47

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
115.82

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4096791

Name:
N-Benzyl-3-(((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-y
Show More⌵

Mol. Formula:
C22H19N5O2

M.W.:
385.43