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

ALA4529879

Name:
N-(4'-Methyl-2-((4-methylcyclohexyl)amino)-[4,5'-bithiazol]-2'-yl)acetamide

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-yl)-4-methylpent-2-enamide

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

ALA4465048

Name:
N-(2-(Cyclohexylamino)-4'-methyl-[4,5'-bithiazol]-2'-yl)-acetamide

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

ALA4461468

Name:
N-(2'-Acetamido-4'-methyl-[4,5'-bithiazol]-2-yl)acrylamide

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

ALA4458933

Name:
N-(2-(Cyclohexyl(methyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide

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-pyridyl)-piperazine-1-carboxaShow More⌵

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-1-yl]-(1H-indol-2-yl)metShow More⌵

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-methoxyphenyl)-3,8-diazabicycShow More⌵

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-methoxyphenyl)-piperazine-1-cShow More⌵

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-methoxy-2-methyl-3-pyridyl)piShow More⌵

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-4-yl)-N-(4-methoxy-2-methShow More⌵

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)piperazin-1-yl]-2-(3,4-dimethoxyShow More⌵

Mol. Formula:
C19H22N6O3S

M.W.:
414.49

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
106.70

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4215615

Name:
(S)-N-(5-(4-chloro-3-(N-(2-hydroxyethyl)sulfamoyl)phenyl)-4-methyl-1H-imidaShow More⌵

Mol. Formula:
C21H22Cl2N4O4S

M.W.:
497.40

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
124.18

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4215340

Name:
(3S)-4-(5-Aminothiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxy-2-methyl-phenyl)Show More⌵

Mol. Formula:
C19H23N7O2S

M.W.:
413.51

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
109.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4215244

Name:
(3S)-4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(4-methoxy-2-methyl-phenyl)-3Show More⌵

Mol. Formula:
C20H24N6O2S

M.W.:
412.52

7 activity values

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
96.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4214728

Name:
4-(5-Aminothiazolo[5,4-d]pyrimidin-7-yl)-N-[4-(trifluoromethoxy)phenyl]pipeShow More⌵

Mol. Formula:
C17H16F3N7O2S

M.W.:
439.42