Compounds

ALA4762103

Name:
(S)-2-chloro-9-(1-(4-(2,2-difluoroethoxy)pyridin-2
Show More⌵

Mol. Formula:
C14H13ClF2N6O

M.W.:
354.75

48 activity values

19 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4757863

Name:
2-Chloro-9-((4-(2,2-difluoroethoxy)pyridin-2-yl)me
Show More⌵

Mol. Formula:
C13H11ClF2N6O

M.W.:
340.72

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4780510

Name:
2-Chloro-9-(pyridin-2-ylmethyl)-9H-purin-6-amine

Mol. Formula:
C11H9ClN6

M.W.:
260.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
82.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4778928

Name:
2-Chloro-9-((6-(furan-2-yl)pyridin-2-yl)methyl)-9H
Show More⌵

Mol. Formula:
C15H11ClN6O

M.W.:
326.75

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
95.65

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4753446

Name:
2-Chloro-9-(1-(4-(2,2-difluoroethoxy)pyridin-2-yl)
Show More⌵

Mol. Formula:
C14H13ClF2N6O

M.W.:
354.75

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4790482

Name:
2-Chloro-9-((6-cyclopentylpyridin-2-yl)methyl)-9H-
Show More⌵

Mol. Formula:
C16H17ClN6

M.W.:
328.81

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
82.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4790086

Name:
(R)-2-chloro-9-(1-(4-(2,2-difluoroethoxy)pyridin-2
Show More⌵

Mol. Formula:
C14H13ClF2N6O

M.W.:
354.75

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4789101

Name:
2-Chloro-9-((6-(tetrahydro-2H-pyran-4-yl)pyridin-2
Show More⌵

Mol. Formula:
C16H17ClN6O

M.W.:
344.81

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4800434

Name:
2-Chloro-9-((6-(2-fluorophenyl)pyridin-2-yl)methyl
Show More⌵

Mol. Formula:
C17H12ClFN6

M.W.:
354.78

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
82.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4798107

Name:
2-Chloro-9-((6-(cyclopent-1-en-1-yl)pyridin-2-yl)m
Show More⌵

Mol. Formula:
C16H15ClN6

M.W.:
326.79

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
82.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5288859

Name:
3-((3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)
Show More⌵

Mol. Formula:
C18H15N5O2

M.W.:
333.35

Type:
---

AlogP:
3.28

Polar Surface Area:
92.41

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4750412

Name:
2-Chloro-9-((4-methoxypyridin-2-yl)methyl)-9H-puri
Show More⌵

Mol. Formula:
C12H11ClN6O

M.W.:
290.71

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4747327

Name:
2-Chloro-9-((4-chloropyridin-2-yl)methyl)-9H-purin
Show More⌵

Mol. Formula:
C11H8Cl2N6

M.W.:
295.13

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
82.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4745958

Name:
2-Chloro-9-((6-(3,6-dihydro-2H-pyran-4-yl)pyridin-
Show More⌵

Mol. Formula:
C16H15ClN6O

M.W.:
342.79

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4786234

Name:
2-Chloro-9-((6-(2,2-difluoroethoxy)pyridin-2-yl)me
Show More⌵

Mol. Formula:
C13H11ClF2N6O

M.W.:
340.72

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4796601

Name:
2-Chloro-9-((6-methylpyridin-2-yl)methyl)-9H-purin
Show More⌵

Mol. Formula:
C12H11ClN6

M.W.:
274.71

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
82.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5169811

Name:
(R)-3-((4-(thiazol-2-ylmethyl)morpholin-2-yl)methy
Show More⌵

Cas Number:
1305115-80-3

Mol. Formula:
C14H15F3N8OS

M.W.:
400.39

6 activity values

2 unique targets

Type:
---

AlogP:
1.18

Polar Surface Area:
107.87

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1779978

Name:
1-((5-methyl-2-phenyloxazol-4-yl)methyl)-N-((6-met
Show More⌵

Mol. Formula:
C24H28N4O2

M.W.:
404.51

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
71.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1779976

Name:
2-((5-methyl-2-phenyloxazol-4-yl)methyl)-N-((6-met
Show More⌵

Mol. Formula:
C28H28N4O2

M.W.:
452.56

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
71.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS