Compounds

Type:
Unknown

AlogP:
1.94

Polar Surface Area:
87.14

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4566690

Name:
N-(2'-Acetamido-4'-methyl-[4,5'-bithiazol]-2-yl)pr
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Mol. Formula:
C12H14N4O2S2

M.W.:
310.40

5 activity values

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
83.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4529879

Name:
N-(4'-Methyl-2-((4-methylcyclohexyl)amino)-[4,5'-b
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Mol. Formula:
C16H22N4OS2

M.W.:
350.51

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
66.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4528964

Name:
(E)-N-(2'-Acetamido-4'-methyl-[4,5'-bithiazol]-2-y
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Mol. Formula:
C15H18N4O2S2

M.W.:
350.47

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
83.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4590346

Name:
N-(2'-Acetamido-4'-methyl-[4,5'-bithiazol]-2-yl)-2
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Mol. Formula:
C11H11BrN4O2S2

M.W.:
375.27

5 activity values

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
83.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4589961

Name:
N-(4'-Methyl-2-(vinylsulfonamido)-[4,5'-bithiazol]
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Mol. Formula:
C11H12N4O3S3

M.W.:
344.44

5 activity values

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
101.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4461468

Name:
N-(2'-Acetamido-4'-methyl-[4,5'-bithiazol]-2-yl)ac
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Mol. Formula:
C12H12N4O2S2

M.W.:
308.39

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
83.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4465048

Name:
N-(2-(Cyclohexylamino)-4'-methyl-[4,5'-bithiazol]-
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Mol. Formula:
C15H20N4OS2

M.W.:
336.49

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
66.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3986552

Name:
N-(2-((3-(3-(N-(4-Aminocyclohexyl)sulfamoyl)-4-met
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Mol. Formula:
C24H32ClN7O4S

M.W.:
550.09

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
152.74

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3978329

Name:
N-(2-((6-Chloro-3-(4-methoxy-3-(piperidin-1-ylsulf
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Mol. Formula:
C23H29ClN6O4S

M.W.:
521.04

3 activity values

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
117.93

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3974986

Name:
5-(6-Chloro-8-(((2-ethylpyridin-4-yl)methyl)amino)
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Mol. Formula:
C25H25ClN6O3S

M.W.:
525.03

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
110.51

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3976651

Name:
5-(6-Chloro-8-(((2-ethylpyridin-4-yl)methyl)amino)
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Mol. Formula:
C24H27ClN6O4S

M.W.:
531.04

16 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
130.74

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4458933

Name:
N-(2-(Cyclohexyl(methyl)amino)-4'-methyl-[4,5'-bit
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Mol. Formula:
C16H22N4OS2

M.W.:
350.51

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
58.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4218639

Name:
4-(5-Aminothiazolo[5,4-d]pyrimidin-7-yl)-N-(3-pyri
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Mol. Formula:
C15H16N8OS

M.W.:
356.42

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
113.16

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4218178

Name:
[4-(5-Aminothiazolo[5,4-d]pyrimidin-7-yl)piperazin
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Mol. Formula:
C18H17N7OS

M.W.:
379.45

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
104.03

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4217771

Name:
3-(5-Aminothiazolo[5,4-d]pyrimidin-7-yl)-N-(4-meth
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Mol. Formula:
C19H21N7O2S

M.W.:
411.49

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
109.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4217096

Name:
4-(5-Aminothiazolo[5,4-d]pyrimidin-7-yl)-N-(4-meth
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Mol. Formula:
C17H19N7O2S

M.W.:
385.45

50 activity values

11 unique targets

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
109.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4216301

Name:
4-(5-Aminothiazolo[5,4-d]pyrimidin-7-yl)-N-(6-meth
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Mol. Formula:
C17H20N8O2S

M.W.:
400.47

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
122.39

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4215775

Name:
(3R)-4-(6-Amino-1-methyl-pyrazolo[3,4-d]pyrimidin-
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Cas Number:
1616414-06-2

Mol. Formula:
C20H26N8O2

M.W.:
410.48

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
114.43

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4215673

Name:
1-[4-(5-Aminothiazolo[5,4-d]pyrimidin-7-yl)piperaz
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Mol. Formula:
C19H22N6O3S

M.W.:
414.49