Compounds

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
114.33

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4475459

Name:
3-amino-5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-m
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Mol. Formula:
C19H16ClN5OS

M.W.:
397.89

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
85.31

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4474926

Name:
N-ethyl-4-(4-(3-methoxypyridin-2-yl)piperidin-1-yl
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Mol. Formula:
C20H32N4O2

M.W.:
360.50

1 activity values

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
57.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4525501

Name:
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-
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Mol. Formula:
C16H14N2O2S

M.W.:
298.37

12 activity values

5 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
76.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4524698

Name:
(7-Chloro-1,6,8-trimethyl-1H-pyrazolo[3',4':4,5]th
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Mol. Formula:
C18H16ClFN4S

M.W.:
374.87

Type:
Unknown

AlogP:
5.20

Polar Surface Area:
42.74

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4524686

Name:
2-(4-((4-(3-methoxypyridin-2-yl)piperidin-1-yl)met
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Mol. Formula:
C21H29N5O

M.W.:
367.50

6 activity values

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
54.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4524555

Name:
1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-
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Mol. Formula:
C17H17N3OS

M.W.:
311.41

7 activity values

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
68.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4524143

Name:
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)(
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Mol. Formula:
C14H14N4OS

M.W.:
286.36

2 unique targets

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
84.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4521280

Name:
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)(
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Mol. Formula:
C15H13F2N3OS

M.W.:
321.35

2 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
72.03

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4534301

Name:
6-amino-N-(1-(2,5-dichloropyridin-4-yl)azetidin-3-
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Mol. Formula:
C19H17Cl2N7OS

M.W.:
462.37

5 activity values

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
101.44

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4533756

Name:
6-amino-N-(4-methoxybenzyl)-5-methylthieno[3,2-e][
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Mol. Formula:
C18H17N5O2S

M.W.:
367.43

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
94.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4533701

Name:
6-amino-2,5-dimethyl-N-(1-(5-(trifluoromethyl)pyri
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Mol. Formula:
C19H17F3N8OS

M.W.:
462.46

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
114.33

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4532897

Name:
6-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-y
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Mol. Formula:
C19H18N6OS

M.W.:
378.46

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
98.20

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4531650

Name:
Cyclopentylmethyl-(6,8-dimethyl-1H-pyrazolo[3',4':
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Mol. Formula:
C16H20N4S

M.W.:
300.43

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
53.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4531229

Name:
1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl
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Mol. Formula:
C18H18FN3O2S

M.W.:
359.43

7 activity values

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
78.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4559841

Name:
Cyclopropylmethyl-(6,8-dimethyl-1H-pyrazolo[3',4':
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Mol. Formula:
C14H16N4S

M.W.:
272.38

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
53.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4559283

Name:
6-amino-N-(1-(5-chloropyrazin-2-yl)azetidin-3-yl)-
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Mol. Formula:
C18H17ClN8OS

M.W.:
428.91

5 activity values

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
114.33

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4559190

Name:
2-(4-(4-(3-methoxypyridin-2-yl)piperidin-1-yl)azep
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Mol. Formula:
C21H30N4OS

M.W.:
386.57

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
41.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4558571

Name:
Benzyl-(6,8-dimethyl-1H-pyrazolo[3',4':4,5]thieno[
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Mol. Formula:
C17H16N4S

M.W.:
308.41