Compounds

Type:
---

AlogP:
3.73

Polar Surface Area:
139.74

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5200762

Name:
2,4-diamino-6-((2S,3aS,7aS)-2-(5-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydrShow More⌵

Mol. Formula:
C27H24ClFN8O

M.W.:
531.00

5 activity values

5 unique targets

Type:
---

AlogP:
4.51

Polar Surface Area:
139.74

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5189303

Name:
2,4-diamino-6-((2S,3aS,7aS)-2-(5-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroqShow More⌵

Mol. Formula:
C26H24FN9O

M.W.:
497.54

Type:
---

AlogP:
3.26

Polar Surface Area:
152.63

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5182539

Name:
2,4-diamino-6-((2S,3aS,7aS)-2-(5-chloro-3-morpholino-4-oxo-3,4-dihydroquinaShow More⌵

Mol. Formula:
C25H28ClN9O2

M.W.:
522.01

5 activity values

5 unique targets

Type:
---

AlogP:
2.35

Polar Surface Area:
152.21

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5182396

Name:
2,4-diamino-6-((2S,5S)-2-(6,8-difluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquShow More⌵

Mol. Formula:
C23H19F2N9O

M.W.:
475.46

Type:
---

AlogP:
2.61

Polar Surface Area:
152.63

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5179238

Name:
2,4-diamino-6-((2S,5S)-2-(5-chloro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazShow More⌵

Mol. Formula:
C23H20ClN9O

M.W.:
473.93

69 activity values

9 unique targets

Type:
---

AlogP:
2.99

Polar Surface Area:
152.63

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5178168

Name:
2,4-diamino-6-((2S,5S)-2-(3-(3-fluorophenyl)-5-(5-methoxypyridin-3-yl)-4-oxShow More⌵

Mol. Formula:
C30H26FN9O2

M.W.:
563.60

Type:
---

AlogP:
4.15

Polar Surface Area:
161.86

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4580182

Name:
3-(4-Chlorophenyl)-1-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Mol. Formula:
C19H16ClN5

M.W.:
349.82

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4573583

Name:
rac-1-(2-Chloro-2-phenylethyl)-3-(4-propylphenyl)-1H-pyrazolo[3,4-d]pyrimidShow More⌵

Mol. Formula:
C22H22ClN5

M.W.:
391.91

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4568918

Name:
rac-3-(4-Nitrophenyl)-1-(2-phenylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-aminShow More⌵

Mol. Formula:
C20H18N6O2

M.W.:
374.40

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
112.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4544858

Name:
rac-3-(4-Fluorophenyl)-1-(2-phenylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amiShow More⌵

Mol. Formula:
C20H18FN5

M.W.:
347.40

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4469733

Name:
rac-2-{4-Amino-3-[4-(hydroxymethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-ylShow More⌵

Mol. Formula:
C20H19N5O2

M.W.:
361.41

Type:
Unknown

AlogP:
2.30

Polar Surface Area:
110.08

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4464645

Name:
3-(4-Methylphenyl)-1-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Mol. Formula:
C20H19N5

M.W.:
329.41

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4463671

Name:
rac-1-(2-Chloro-2-phenylethyl)-3-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidiShow More⌵

Mol. Formula:
C21H20ClN5

M.W.:
377.88

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4451642

Name:
rac-1-(2-Chloro-2-phenylethyl)-3-(4-iodophenyl)-1H-pyrazolo[3,4-d]pyrimidinShow More⌵

Mol. Formula:
C19H15ClIN5

M.W.:
475.72

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4446463

Name:
rac-3-(3-Chlorophenyl)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidShow More⌵

Mol. Formula:
C19H15Cl2N5

M.W.:
384.27

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4445279

Name:
rac-3-(4-Bromophenyl)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidiShow More⌵

Mol. Formula:
C19H15BrClN5

M.W.:
428.72

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
69.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4444475

Name:
rac-3-(2-Chlorophenyl)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidShow More⌵

Mol. Formula:
C19H15Cl2N5

M.W.:
384.27