Compounds

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4589782

Name:
5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amShow More⌵

Mol. Formula:
C24H17FN6

M.W.:
408.44

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
76.48

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4539540

Name:
(2S)-1-(((1S,2S)-2-(8-azabicyclo[3.2.1]octan-8-yl)-1,2-di(pyridin-2-yl)ethyShow More⌵

Mol. Formula:
C25H36N4O

M.W.:
408.59

8 activity values

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
52.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4527638

Name:
3-((1R,2S)-2-(ethyl(propyl)amino)-1-(((S)-3-hydroxy-2-methylpropyl)(2-methoShow More⌵

Mol. Formula:
C26H38N4O2

M.W.:
438.62

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
72.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4522138

Name:
2-chloro-8-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

Mol. Formula:
C20H15ClN4

M.W.:
346.82

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4517112

Name:
(2R,2'R)-1,1'-((1S,2S)-2-(dipropylamino)-1,2-di(pyridin-2-yl)ethylazanediylShow More⌵

Mol. Formula:
C24H38N4O2

M.W.:
414.59

7 activity values

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
72.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4474540

Name:
(2S)-1-(((1S,2S)-2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2-di(pyridinShow More⌵

Mol. Formula:
C26H38N4O3

M.W.:
454.62

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
70.95

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4466634

Name:
(S)-3-(((1S,2S)-2-(ethyl(propyl)amino)-1,2-di(pyridin-2-yl)ethyl)(2-methoxyShow More⌵

Mol. Formula:
C24H38N4O2

M.W.:
414.59

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
61.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4453132

Name:
(S)-1-(((1S,2S)-2-(dipropylamino)-1,2-di(pyridin-2-yl)ethyl)(2-methoxyethylShow More⌵

Mol. Formula:
C24H38N4O2

M.W.:
414.59

7 activity values

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
61.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4451245

Name:
3-((1S,2R)-2-(ethyl(propyl)amino)-1-(((R)-3-hydroxy-2-methylpropyl)(2-methoShow More⌵

Mol. Formula:
C26H38N4O2

M.W.:
438.62

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
72.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4450583

Name:
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amShow More⌵

Mol. Formula:
C24H17FN6

M.W.:
408.44

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
76.48

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4449762

Name:
2-chloro-6-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

Mol. Formula:
C20H15ClN4

M.W.:
346.82

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4441178

Name:
N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)-5-(4-(trifluoromethyl)phenyl)quinShow More⌵

Mol. Formula:
C25H17F3N6

M.W.:
458.45

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
76.48

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4212152

Name:
5-(4-(benzylamino)-5-phenylpyrrolo[1,2-f][1,2,4]triazin-2-yl)pyridine-3-sulShow More⌵

Mol. Formula:
C24H20N6O2S

M.W.:
456.53

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
115.27

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4105373

Name:
N-(2'-(2,2-di(pyridin-3-yl)ethyl)-5'-fluorobiphenyl-3-yl)methanesulfonamide

Mol. Formula:
C25H22FN3O2S

M.W.:
447.54

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
71.95

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4105245

Name:
2-chloro-3-(2-(2-(2-chlorophenyl)pyridin-3-yl)-1-(pyridin-3-yl)ethyl)pyridiShow More⌵

Mol. Formula:
C23H17Cl2N3

M.W.:
406.32

Type:
Small molecule

AlogP:
6.22

Polar Surface Area:
38.67

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4104959

Name:
4-(2-((5-phenyl-2-(pyrimidin-5-yl)quinazolin-4-yl)amino)ethyl)benzenesulfonShow More⌵

Mol. Formula:
C26H22N6O2S

M.W.:
482.57

3 activity values

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
123.75

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4104525

Name:
(R)-1-(2-(3,5-dichlorophenyl)pyridin-3-yl)-2,2-di(pyridin-3-yl)ethanol

Mol. Formula:
C23H17Cl2N3O

M.W.:
422.32

37 activity values

13 unique targets

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
58.90

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4102583

Name:
4-(2-((2-chloro-5-phenylquinazolin-4-yl)amino)ethyl)benzenesulfonamide

Mol. Formula:
C22H19ClN4O2S

M.W.:
438.94

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
97.97

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4102309

Name:
2-(6-aminopyridin-2-yl)-1-(2-(3,5-dichlorophenyl)pyridin-3-yl)-2-(pyridin-3Show More⌵

Mol. Formula:
C23H18Cl2N4O

M.W.:
437.33