Compounds

Type:
Unknown

AlogP:
-1.50

Polar Surface Area:
188.70

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4593048

Name:
{(2R,3S,4R,5R)-5-[4-amino-3-(3-methoxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrShow More⌵

Mol. Formula:
C14H18N6O7S

M.W.:
414.40

Type:
Unknown

AlogP:
-2.75

Polar Surface Area:
197.93

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4592936

Name:
{(2R,3R,4S,5R)-5-[4-amino-3-(pyridin-4-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimiShow More⌵

Mol. Formula:
C15H16FN7O5S2

M.W.:
457.47

Type:
Unknown

AlogP:
-0.23

Polar Surface Area:
181.36

HBA:
12

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4589701

Name:
[(2R,3S,4R,5R)-5-{4-amino-3-[(3-fluorobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyShow More⌵

Mol. Formula:
C17H19FN6O6S2

M.W.:
486.51

Type:
Unknown

AlogP:
-0.32

Polar Surface Area:
188.70

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4589617

Name:
[(2R,3S,5R)-5-{4-amino-3-[(2-fluoro-4-methoxyphenyl)sulfanyl]-1H-pyrazolo[3Show More⌵

Mol. Formula:
C17H19FN6O6S2

M.W.:
486.51

Type:
Unknown

AlogP:
0.58

Polar Surface Area:
177.70

HBA:
12

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4589191

Name:
[(2R,3R,4S,5R)-5-(4-amino-3-{[(1RS)-1-cyclopropylethyl]sulfanyl}-1H-pyrazolShow More⌵

Mol. Formula:
C15H21FN6O5S2

M.W.:
448.50

Type:
Unknown

AlogP:
0.12

Polar Surface Area:
168.47

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4587921

Name:
[(2S,3S,5R)-5-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3-hydroxytetrahydrShow More⌵

Mol. Formula:
C10H14N6O5S

M.W.:
330.33

Type:
Unknown

AlogP:
-1.72

Polar Surface Area:
168.47

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4586427

Name:
{(2R,3S,4R,5R)-5-[4-amino-3-(ethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yShow More⌵

Mol. Formula:
C12H18N6O6S2

M.W.:
406.45

6 activity values

Type:
Unknown

AlogP:
-1.64

Polar Surface Area:
188.70

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4586357

Name:
[(2R,3R,4S,5R)-5-{4-amino-3-[(pyridin-4-ylmethyl)sulfanyl]-1H-pyrazolo[3,4-Show More⌵

Mol. Formula:
C16H18FN7O5S2

M.W.:
471.50

Type:
Unknown

AlogP:
-0.09

Polar Surface Area:
181.36

HBA:
12

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4586196

Name:
[(2R,3R,4S,5R)-5-{4-amino-3-[(2-hydroxyethyl)sulfanyl]-1H-pyrazolo[3,4-d]pyShow More⌵

Mol. Formula:
C12H17FN6O6S2

M.W.:
424.44

Type:
Unknown

AlogP:
-1.69

Polar Surface Area:
188.70

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4586021

Name:
[(2R,3S,4R,5R)-5-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3,4-diShow More⌵

Mol. Formula:
C11H16N6O6S

M.W.:
360.35

Type:
Unknown

AlogP:
-2.44

Polar Surface Area:
188.70

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4585930

Name:
{(2R,3S,4R,5R)-5-[4-amino-3-(cyclobutylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidiShow More⌵

Mol. Formula:
C14H20N6O6S2

M.W.:
432.48

Type:
Unknown

AlogP:
-1.11

Polar Surface Area:
188.70

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4585307

Name:
[(2R,3S,4R,5R)-5-(4-amino-3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3,4-diShow More⌵

Mol. Formula:
C12H18N6O7S

M.W.:
390.38

7 activity values

Type:
Unknown

AlogP:
-2.35

Polar Surface Area:
197.93

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4584674

Name:
[(2S,3S,5R)-5-(4-amino-3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3-hydroxytShow More⌵

Mol. Formula:
C12H18N6O5S

M.W.:
358.38

Type:
Unknown

AlogP:
-1.16

Polar Surface Area:
168.47

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4581619

Name:
[(2R,3R,4S,5R)-5-{4-amino-3-[(pyridin-2-ylmethyl)sulfanyl]-1H-pyrazolo[3,4-Show More⌵

Mol. Formula:
C16H18FN7O5S2

M.W.:
471.50

Type:
Unknown

AlogP:
-0.09

Polar Surface Area:
181.36

HBA:
12

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4581202

Name:
[(2R,3S,4R,5R)-5-{4-amino-3-[(cyclopropylmethyl)sulfanyl]-1H-pyrazolo[3,4-dShow More⌵

Mol. Formula:
C14H20N6O6S2

M.W.:
432.48

Type:
Unknown

AlogP:
-1.25

Polar Surface Area:
188.70

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4581056

Name:
{(2S,3S,4R,5R)-5-[4-amino-3-(isopropylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidinShow More⌵

Mol. Formula:
C13H20N6O6S2

M.W.:
420.47

7 activity values

Type:
Unknown

AlogP:
-1.25

Polar Surface Area:
188.70

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4580366

Name:
{(2S,3S,4R,5R)-5-[4-amino-3-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-Show More⌵

Mol. Formula:
C11H16N6O6S2

M.W.:
392.42

6 activity values

Type:
Unknown

AlogP:
-2.03

Polar Surface Area:
188.70

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4579107

Name:
[(2R,3S,4R,5R)-5-{4-amino-3-[(2,2,2-trifluoroethyl)sulfanyl]-1H-pyrazolo[3,Show More⌵

Mol. Formula:
C12H15F3N6O6S2

M.W.:
460.42

Type:
Unknown

AlogP:
-1.10

Polar Surface Area:
188.70

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4578909

Name:
[(2R,3S,5R)-5-(4-amino-3-{[4-(trifluoromethoxy)phenyl]sulfanyl}-1H-pyrazoloShow More⌵

Mol. Formula:
C17H17F3N6O6S2

M.W.:
522.49