Compounds

Type:
---

AlogP:
2.61

Polar Surface Area:
80.87

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5198162

Name:
7-methyl-2-(7-methylcinnolin-6-ylamino)-9-(1-methylpiperidin-4-yl)-7H-purinShow More⌵

Mol. Formula:
C21H24N8O

M.W.:
404.48

5 activity values

Type:
---

AlogP:
2.39

Polar Surface Area:
93.76

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5197528

Name:
7-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)-9-morpholino-Show More⌵

Mol. Formula:
C17H19N9O2

M.W.:
381.40

8 activity values

2 unique targets

Type:
---

AlogP:
0.19

Polar Surface Area:
107.40

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5197250

Name:
(S)-7-methyl-2-(7-methylquinolin-6-ylamino)-9-(1-(oxetan-3-yl)pyrrolidin-3-Show More⌵

Mol. Formula:
C23H25N7O2

M.W.:
431.50

6 activity values

Type:
---

AlogP:
2.38

Polar Surface Area:
90.10

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5196879

Name:
5'-methyl-2'-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)spiro[cyclShow More⌵

Mol. Formula:
C17H17N7O

M.W.:
335.37

Type:
---

AlogP:
1.97

Polar Surface Area:
88.31

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5196848

Name:
7-methyl-9-(1-methylpiperidin-4-yl)-2-(7-methylquinoxalin-6-ylamino)-7H-purShow More⌵

Mol. Formula:
C21H24N8O

M.W.:
404.48

5 activity values

Type:
---

AlogP:
2.39

Polar Surface Area:
93.76

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5205796

Name:
N-(2-(3-(dimethylamino)propoxy)-5-(3'-methyl-2'-oxo-2',3'-dihydrospiro[cyclShow More⌵

Mol. Formula:
C26H28F3N5O4S

M.W.:
563.60

2 activity values

2 unique targets

Type:
---

AlogP:
4.29

Polar Surface Area:
104.73

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5204870

Name:
(S)-9-(1-(2-methoxyethyl)pyrrolidin-3-yl)-7-methyl-2-(7-methylquinolin-6-ylShow More⌵

Mol. Formula:
C23H27N7O2

M.W.:
433.52

6 activity values

Type:
---

AlogP:
2.62

Polar Surface Area:
90.10

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5204430

Name:
5,7,7-trimethyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-5,7-Show More⌵

Mol. Formula:
C16H17N7O

M.W.:
323.36

Type:
---

AlogP:
1.83

Polar Surface Area:
88.31

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5202679

Name:
5'-methyl-2'-((7-methylquinolin-6-yl)amino)-2,3,5,6-tetrahydrospiro[pyran-4Show More⌵

Mol. Formula:
C21H21N5O2

M.W.:
375.43

Type:
---

AlogP:
3.10

Polar Surface Area:
80.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5195439

Name:
4-(4-(4-chloro-2-fluoro-5-(1-(6-methoxypyridazin-3-yl)cyclopropyl)phenyl)quShow More⌵

Mol. Formula:
C26H23ClFN5O2

M.W.:
491.95

3 activity values

2 unique targets

Type:
---

AlogP:
4.80

Polar Surface Area:
73.26

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5194436

Name:
7-methyl-2-(7-methylquinoxalin-6-ylamino)-9-(tetrahydro-2H-pyran-4-yl)-7H-pShow More⌵

Mol. Formula:
C20H21N7O2

M.W.:
391.44

4 activity values

3 unique targets

Type:
---

AlogP:
2.48

Polar Surface Area:
99.75

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5193606

Name:
2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-8-(tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C18H20N8O2

M.W.:
380.41

Type:
---

AlogP:
1.51

Polar Surface Area:
109.57

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5192430

Name:
7-methyl-2-(7-methylquinolin-6-ylamino)-9-(piperidin-4-yl)-7H-purin-8(9H)-oShow More⌵

Mol. Formula:
C21H23N7O

M.W.:
389.46

8 activity values

Type:
---

AlogP:
2.65

Polar Surface Area:
89.66

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5192303

Name:
5-fluoro-2-(((1s,4s)-4-((7-morpholinoquinoxalin-5-yl)oxy)cyclohexyl)amino)pShow More⌵

Mol. Formula:
C22H25FN6O3

M.W.:
440.48

Type:
---

AlogP:
2.49

Polar Surface Area:
105.26

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5191714

Name:
5-ethyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-8-(tetrahydrShow More⌵

Mol. Formula:
C20H24N8O2

M.W.:
408.47

Type:
---

AlogP:
1.92

Polar Surface Area:
100.78

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5191577

Name:
(S)-9-(1-(2-hydroxyethyl)pyrrolidin-3-yl)-7-methyl-2-(7-methylquinolin-6-ylShow More⌵

Mol. Formula:
C22H25N7O2

M.W.:
419.49

9 activity values

Type:
---

AlogP:
1.97

Polar Surface Area:
101.10

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5187570

Name:
5'-ethyl-2'-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-2,3,5,6-teShow More⌵

Mol. Formula:
C19H21N7O2

M.W.:
379.42

Type:
---

AlogP:
1.99

Polar Surface Area:
97.54

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5187533

Name:
(S)-3-(8-(1-(2'-methyl-4,5'-bipyrimidin-6-ylamino)propan-2-yl)quinolin-4-ylShow More⌵

Mol. Formula:
C23H20N8O2

M.W.:
440.47

Type:
---

AlogP:
3.35

Polar Surface Area:
135.37

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5186964

Name:
N-(2-chloro-4-fluoro-5-(7-morpholinoquinazolin-4-yl)phenyl)-6-methoxypyridaShow More⌵

Mol. Formula:
C23H20ClFN6O2

M.W.:
466.90