Compounds

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
94.17

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4796501

Name:
6-chloro-8-cyclopentyl-2-[(1-methylsulfonyl-4-piperidyl)amino]pyrido[2,3-d]Show More⌵

Mol. Formula:
C18H24ClN5O3S

M.W.:
425.94

10 activity values

7 unique targets

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
97.19

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4794123

Name:
1-(8-isopropyl-5-methyl-2-(6-(2-(methylamino)ethyl)-5,6,7,8-tetrahydro-1,6-Show More⌵

Mol. Formula:
C26H32N8O

M.W.:
472.60

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
100.34

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4793422

Name:
5,8-dimethyl-2-(phenylamino)imidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-6-carShow More⌵

Mol. Formula:
C18H14N6

M.W.:
314.35

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
78.90

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4792839

Name:
1-(5-methyl-2((4-(piperazin-1-yl)phenyl)amino)-8-(pyrrolidine-1-carbonyl)imShow More⌵

Mol. Formula:
C27H30N8O2

M.W.:
498.59

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
107.76

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4792101

Name:
1-(8-isopropyl-5-methyl-2-(5-(piperazin-1-ylmethyl)pyridin-2-yl)amino)imidaShow More⌵

Mol. Formula:
C25H30N8O

M.W.:
458.57

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
100.34

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4791259

Name:
1-(8-isopropyl-5-methyl-2-((5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)amino)Show More⌵

Mol. Formula:
C23H25N7O

M.W.:
415.50

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
97.10

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4788066

Name:
5,8-dimethyl-2((4-morpholinophenyl)amino)imidazo[1',2':1,6]pyrido[2,3-d]pyrShow More⌵

Mol. Formula:
C22H21N7O

M.W.:
399.46

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
91.37

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4787909

Name:
Ethyl 6-acetyl-5-methyl-2((4-(piperazin-1-yl)phenyl)amino)imidazo[1',2':1,6Show More⌵

Mol. Formula:
C25H27N7O3

M.W.:
473.54

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
113.75

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4787501

Name:
2-amino-5,8-dimethylimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-6-carbonitrilShow More⌵

Mol. Formula:
C12H10N6

M.W.:
238.25

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
92.89

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4786042

Name:
1-(8-cyclohexyl-5-methyl-2-((4-(piperazin-1-yl)phenyl)amino)imidazo[1',2':1Show More⌵

Mol. Formula:
C28H33N7O

M.W.:
483.62

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
87.45

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4785811

Name:
1-(5,8-dimethyl-2-((4-(piperazin-1-yl)phenyl)amino)imidazo[1',2':1,6]pyridoShow More⌵

Mol. Formula:
C23H25N7O

M.W.:
415.50

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
87.45

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4785079

Name:
1-(2-((5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridin-2-yl)amino)-8-isopropyl-5Show More⌵

Mol. Formula:
C27H31N7O2

M.W.:
485.59

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
97.54

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4784940

Name:
1-(2-(6-(2-(dimethylamino)ethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)aShow More⌵

Mol. Formula:
C27H34N8O

M.W.:
486.62

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
91.55

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4783539

Name:
1-(8-isopropyl-5-methyl-2((5-(piperazin-1-yl)pyridin-2-yl)amino)imidazo[1',Show More⌵

Mol. Formula:
C24H28N8O

M.W.:
444.54

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
100.34

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4782575

Name:
1-(8-isopropyl-5-methyl-2-(5-(piperazine-1-carbonyl)pyridin-2-yl)amino)imidShow More⌵

Mol. Formula:
C25H28N8O2

M.W.:
472.55

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
117.41

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4781277

Name:
1-(5-methyl-8-phenyl-2((4-(piperazin-1-yl)phenyl)amino)imidazo[1,2':1,6]pyrShow More⌵

Mol. Formula:
C28H27N7O

M.W.:
477.57

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
87.45

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4781009

Name:
1-(8-cyclopentyl-5-methyl-2((4-(piperazin-1-yl)phenyl)amino)imidazo[1',2':1Show More⌵

Mol. Formula:
C27H31N7O

M.W.:
469.59

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
87.45

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4780277

Name:
1-(2-((5-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-2-yl)amino)-8-isopropyl-Show More⌵

Mol. Formula:
C26H32N8O

M.W.:
472.60

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
91.55

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4779845

Name:
1-(2-((5-(2,7-diazaspiro[4.4]nonan-2-yl)pyridin-2-yl)amino)-8-isopropyl-5-mShow More⌵

Mol. Formula:
C27H32N8O

M.W.:
484.61