Compounds

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
96.09

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4860957

Name:
2,6-difluoro-4-(9-(4-phenoxyphenyl)-9H-purin-2-yla
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Mol. Formula:
C23H15F2N5O2

M.W.:
431.40

Type:
Unknown

AlogP:
5.34

Polar Surface Area:
85.09

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4858455

Name:
2,6-difluoro-4-(9-(4-morpholinophenyl)-9H-purin-2-
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Mol. Formula:
C21H18F2N6O2

M.W.:
424.41

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
88.33

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4858257

Name:
2,6-difluoro-4-(9-isopentyl-9H-purin-2-ylamino)phe
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Mol. Formula:
C16H17F2N5O

M.W.:
333.34

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
75.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4857399

Name:
2,6-difluoro-4-(7-(4-morpholinophenyl)-7H-pyrrolo[
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Mol. Formula:
C22H19F2N5O2

M.W.:
423.42

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
75.44

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4879022

Name:
4-(9-(4-(benzyloxy)phenyl)-9H-purin-2-ylamino)-2,6
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Mol. Formula:
C24H17F2N5O2

M.W.:
445.43

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
85.09

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4878386

Name:
4-(9H-purin-2-ylamino)-2,6-difluorophenol

Mol. Formula:
C11H7F2N5O

M.W.:
263.21

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
86.72

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4878141

Name:
methyl 3-(4-(2-(3,5-difluoro-4-hydroxyphenylamino)
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Mol. Formula:
C21H17F2N5O3

M.W.:
425.40

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
102.16

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4849660

Name:
2,6-difluoro-4-(9-(4-(2-morpholinoethyl)phenyl)-9H
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Mol. Formula:
C23H22F2N6O2

M.W.:
452.47

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
88.33

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4848761

Name:
4-(9-(biphenyl-4-yl)-9H-purin-2-ylamino)-2,6-diflu
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Mol. Formula:
C23H15F2N5O

M.W.:
415.40

Type:
Unknown

AlogP:
5.21

Polar Surface Area:
75.86

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4845736

Name:
2,6-difluoro-4-(9-(3-phenoxyphenyl)-9H-purin-2-yla
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Mol. Formula:
C23H15F2N5O2

M.W.:
431.40

Type:
Unknown

AlogP:
5.34

Polar Surface Area:
85.09

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5278864

Name:
3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cy
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Mol. Formula:
C16H11N5O

M.W.:
289.30

Type:
---

AlogP:
2.02

Polar Surface Area:
108.45

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4865383

Name:
2,6-difluoro-4-(9-(4-hydroxyphenyl)-9H-purin-2-yla
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Mol. Formula:
C17H11F2N5O2

M.W.:
355.30

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
96.09

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4864190

Name:
2,6-difluoro-4-(7-(4-(4-methylpiperazin-1-yl)pheny
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Mol. Formula:
C23H22F2N6O

M.W.:
436.47

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
69.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4855811

Name:
4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-2,6-diflu
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Mol. Formula:
C12H8F2N4O

M.W.:
262.22

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
73.83

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4871264

Name:
4-(9-(3-(benzyloxy)phenyl)-9H-purin-2-ylamino)-2,6
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Mol. Formula:
C24H17F2N5O2

M.W.:
445.43

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
85.09

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4089765

Name:
(E)-3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-py
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Mol. Formula:
C23H26N6O2

M.W.:
418.50

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
129.85

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4061650

Name:
(E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-
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Mol. Formula:
C24H27N5O3

M.W.:
433.51

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
127.05

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4069201

Name:
(E)-3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-py
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Mol. Formula:
C19H19N5O

M.W.:
333.40

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
100.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4065469

Name:
(E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-toly
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Mol. Formula:
C20H22N4O3

M.W.:
366.42