Compounds

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
68.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4092103

Name:
8-benzoylamino-2-phenylimidazo[1,2-a]pyrazine

Mol. Formula:
C19H14N4O

M.W.:
314.35

6 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4091060

Name:
8-(4-Fluorobenzoyl)amino-2,6-diphenylimidazo[1,2-a
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Mol. Formula:
C25H17FN4O

M.W.:
408.44

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4084789

Name:
8-Diphenylacetylamino-2-phenylimidazo[1,2-a]pyrazi
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Mol. Formula:
C26H20N4O

M.W.:
404.47

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4089977

Name:
8-(4-Methylbenzoyl)amino-2,6-diphenylimidazo[1,2-a
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Mol. Formula:
C26H20N4O

M.W.:
404.47

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4070253

Name:
8-(4-Methoxybenzoyl)amino-2-phenylimidazo[1,2-a]py
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Mol. Formula:
C20H16N4O2

M.W.:
344.37

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
68.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4070079

Name:
8-dibenzoylamino-2-phenylimidazo[1,2-a]pyrazine

Mol. Formula:
C26H18N4O2

M.W.:
418.46

6 unique targets

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
67.57

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4064023

Name:
8-(4-Chlorobenzoyl)amino-2,6-diphenylimidazo[1,2-a
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Mol. Formula:
C25H17ClN4O

M.W.:
424.89

Type:
Small molecule

AlogP:
5.97

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4082842

Name:
2,6-Diphenyl-8-(2-thenoyl)aminoimidazo[1,2-a]pyraz
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Mol. Formula:
C23H16N4OS

M.W.:
396.48

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
59.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4082271

Name:
8-Benzoylamino-2-(4-methoxyphenyl)imidazo[1,2-a]py
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Mol. Formula:
C20H16N4O2

M.W.:
344.37

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
68.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4075670

Name:
8-(Phenylacetyl)amino-2-phenylimidazo[1,2-a]pyrazi
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Mol. Formula:
C20H16N4O

M.W.:
328.38

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4075640

Name:
8-Benzoylamino-2,6-diphenylimidazo[1,2-a]pyrazine

Mol. Formula:
C25H18N4O

M.W.:
390.45

6 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4069012

Name:
2,6-diphenyl-8-(3-pyridoylamino)imidazo[1,2-a]pyra
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Mol. Formula:
C24H17N5O

M.W.:
391.43

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
72.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4068878

Name:
8-(4-Methoxylbenzoyl)amino-2,6-diphenylimidazo[1,2
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Mol. Formula:
C26H20N4O2

M.W.:
420.47

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
68.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3747100

Name:
2,5-di(furan-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one

Cas Number:
1280987-94-1

Mol. Formula:
C14H8N2O3S

M.W.:
284.30

3 activity values

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
72.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3745825

Name:
2-(furan-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-
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Mol. Formula:
C12H10N2O2S

M.W.:
246.29

3 activity values

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
58.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3746858

Name:
2-cyclopropyl-6-ethylthieno[2,3-d]pyrimidin-4(3H)-
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Cas Number:
1241340-42-0

Mol. Formula:
C11H12N2OS

M.W.:
220.30

3 activity values

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
45.75

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.84

DETAILS

ALA3745803

Name:
6-ethyl-2-(furan-3-yl)thieno[2,3-d]pyrimidin-4(3H)
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Mol. Formula:
C12H10N2O2S

M.W.:
246.29

5 activity values

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
58.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3746510

Name:
N-(4-methoxybenzo[d]thiazol-2-yl)benzo[b]thiophene
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Cas Number:
1014253-50-9

Mol. Formula:
C17H12N2O2S2

M.W.:
340.43

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
51.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3745868

Name:
N-(4-cyclopropylthiazol-2-yl)benzo[b]thiophene-2-c
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Cas Number:
1386073-76-2

Mol. Formula:
C15H12N2OS2

M.W.:
300.41