Compounds

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
84.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4642055

Name:
N-(1-(2,5-dichloropyridin-4-yl)azetidin-3-yl)-8,9-dimethyl-8H-pyrazolo[3,4-Show More⌵

Mol. Formula:
C19H17Cl2N7

M.W.:
414.30

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
71.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4641848

Name:
4-amino-2,3-dimethyl-N-(1-(6-(trifluoromethyl)pyridin-3-yl)azetidin-3-yl)-2Show More⌵

Mol. Formula:
C19H19F3N6O

M.W.:
404.40

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
89.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4639222

Name:
4-amino-N-(1-(5-chloro-2-methoxypyridin-4-yl)azetidin-3-yl)-2,3-dimethyl-2HShow More⌵

Mol. Formula:
C19H21ClN6O2

M.W.:
400.87

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
98.30

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4638291

Name:
4-amino-N-(1-(5-chloro-3-fluoropyridin-2-yl)azetidin-3-yl)-2,3-dimethyl-2H-Show More⌵

Mol. Formula:
C18H18ClFN6O

M.W.:
388.83

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
89.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4636845

Name:
N-cyclobutyl-4-((8,9-dimethyl-8H-pyrazolo[3,4-h]quinazolin-4-ylamino)methylShow More⌵

Mol. Formula:
C23H24N6O

M.W.:
400.49

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
84.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4635909

Name:
N-(3-fluoro-4-methoxybenzyl)-8,9-dimethyl-8H-pyrazolo[3,4-h]quinazolin-4-amShow More⌵

Mol. Formula:
C19H18FN5O

M.W.:
351.39

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4635732

Name:
4-amino-N-(1-(3-chloro-5-cyanopyridin-2-yl)azetidin-3-yl)-2,3-dimethyl-2H-iShow More⌵

Mol. Formula:
C19H18ClN7O

M.W.:
395.85

Type:
Unknown

AlogP:
2.00

Polar Surface Area:
112.86

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4634770

Name:
N-(1-(5-chloro-2-methoxypyridin-4-yl)azetidin-3-yl)-8,9-dimethyl-8H-pyrazolShow More⌵

Mol. Formula:
C20H20ClN7O

M.W.:
409.88

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
80.99

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4632962

Name:
4-amino-N-(1-(2,5-dichloropyridin-4-yl)azetidin-3-yl)-2,3-dimethyl-2H-indazShow More⌵

Mol. Formula:
C18H18Cl2N6O

M.W.:
405.29

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
89.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4469998

Name:
3-amino-4-methyl-N-(4-(trifluoromethylsulfonyl)benzyl)thieno[2,3-c]pyridineShow More⌵

Mol. Formula:
C17H14F3N3O3S2

M.W.:
429.45

12 activity values

4 unique targets

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
102.15

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

VU0152099

Name:
3-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridinShow More⌵

Mol. Formula:
C18H17N3O3S

M.W.:
355.42

1 activity values

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
86.47

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4217609

Name:
2,4-dimethyl-N-(1-(2-(trifluoromethyl)pyridin-4-yl)azetidin-3-yl)quinoline-Show More⌵

Mol. Formula:
C21H19F3N4O

M.W.:
400.40

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4217458

Name:
2,4-dimethyl-N-(1-(5-(trifluoromethyl)pyrazin-2-yl)azetidin-3-yl)quinoline-Show More⌵

Mol. Formula:
C20H18F3N5O

M.W.:
401.39

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
71.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4216930

Name:
N-(1-(6-chloropyridin-2-yl)azetidin-3-yl)-2,4-dimethylquinoline-6-carboxamiShow More⌵

Mol. Formula:
C20H19ClN4O

M.W.:
366.85

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4216322

Name:
N-(3-fluoro-4-methoxybenzyl)-2,4-dimethylquinoline-6-carboxamide

Mol. Formula:
C20H19FN2O2

M.W.:
338.38

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4215358

Name:
2,4-dimethyl-N-(1-(5-(trifluoromethyl)pyrimidin-2-yl)azetidin-3-yl)quinolinShow More⌵

Mol. Formula:
C20H18F3N5O

M.W.:
401.39

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
71.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4214822

Name:
N-(1-(5-isopropoxypyrimidin-2-yl)azetidin-3-yl)-2,4-dimethylquinoline-6-carShow More⌵

Mol. Formula:
C22H25N5O2

M.W.:
391.48

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
80.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4214738

Name:
N-(1-(2,5-dichloropyridin-4-yl)azetidin-3-yl)-2,4-dimethylquinoline-6-carboShow More⌵

Mol. Formula:
C20H18Cl2N4O

M.W.:
401.30

12 activity values