Compounds

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
102.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4475766

Name:
2-(benzo[d]thiazol-5-yl)-4,5,6,7,8,9-hexahydropyra
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Mol. Formula:
C16H17N5OS

M.W.:
327.41

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
85.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4475515

Name:
3-(benzo[d]thiazol-5-yl)-1-ethyl-5-(methylamino)-1
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Mol. Formula:
C14H15N5OS

M.W.:
301.38

6 activity values

5 unique targets

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
85.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4535795

Name:
2-(benzo[d]thiazol-5-yl)-5,6,7,8-tetrahydro-4H-pyr
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Mol. Formula:
C15H15N5OS

M.W.:
313.39

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
85.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4558980

Name:
2-(benzo[d]thiazol-5-yl)-4,5,6,7-tetrahydropyrazol
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Mol. Formula:
C14H13N5OS

M.W.:
299.36

Type:
Unknown

AlogP:
2.07

Polar Surface Area:
85.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4551566

Name:
(5R,8S)-2-(benzo[d]thiazol-5-yl)-4,5,6,7,8,9-hexah
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Mol. Formula:
C17H17N5OS

M.W.:
339.42

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
85.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4568258

Name:
5-amino-3-(benzo[d][1,3]dioxol-5-yl)-1-(tert-butyl
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Mol. Formula:
C15H18N4O3

M.W.:
302.33

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
105.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4566800

Name:
5-amino-3-(1,1-dimethylethyl)-1-(1H-indazol-5-yl)-
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Mol. Formula:
C15H18N6O

M.W.:
298.35

Type:
Unknown

AlogP:
1.73

Polar Surface Area:
115.61

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4527824

Name:
(5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,
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Mol. Formula:
C17H17N5O2S

M.W.:
355.42

Type:
Unknown

AlogP:
1.82

Polar Surface Area:
106.06

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4517939

Name:
5-amino-1-(tert-butyl)-3-(4-chloro-3-methoxyphenyl
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Mol. Formula:
C15H19ClN4O2

M.W.:
322.80

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
96.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4776443

Name:
N-(3-Methoxy-5-(2-methyl-5-(4-(piperazin-1-yl)phen
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Mol. Formula:
C25H30N4O3S

M.W.:
466.61

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
83.56

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4763647

Name:
N-(2-(1,2-dimethylpiperidin-3-yl)-5-fluorothieno[2
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Mol. Formula:
C21H21FN4S2

M.W.:
412.56

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
41.05

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4758780

Name:
N-(2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,
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Mol. Formula:
C21H18N4OS2

M.W.:
406.54

Type:
Unknown

AlogP:
4.80

Polar Surface Area:
59.07

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4758737

Name:
N-(2-(2,3,6,7-tetrahydro-1H-azepin-4-yl)thieno[2,3
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Mol. Formula:
C20H18N4S2

M.W.:
378.53

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
49.84

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4780183

Name:
N-(5-(2-Amino-5-(3-(methylsulfonyl)phenyl)pyridin-
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Mol. Formula:
C22H25N3O5S2

M.W.:
475.59

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
128.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4779127

Name:
N-(3-Methoxy-5-(2-methyl-5-(4-(piperazin-1-yl)phen
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Mol. Formula:
C24H28N4O3S

M.W.:
452.58

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
83.56

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4778280

Name:
N-(5-(2-Amino-5-(2-(methylsulfonyl)phenyl)pyridin-
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Mol. Formula:
C22H25N3O5S2

M.W.:
475.59

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
128.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4776631

Name:
N-(3-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-
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Mol. Formula:
C28H29N5O3S

M.W.:
515.64

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
109.58

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4585896

Name:
5-amino-1-[4-chloro-3-(methyloxy)phenyl]-3-(1,1-di
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Mol. Formula:
C15H19ClN4O2

M.W.:
322.80

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
96.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4583311

Name:
(5R,7S,8R)-2-(benzo[d]thiazol-5-yl)-7-hydroxy-4,5,
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Mol. Formula:
C17H17N5O2S

M.W.:
355.42