Compounds

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
108.12

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2349193

Name:
2-{[2-(4-Aminocyclohexylamino)-9-isopropyl-9H-purin-6-ylamino]-methyl}-4-chShow More⌵

Mol. Formula:
C21H28ClN7O

M.W.:
429.96

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
113.91

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2349192

Name:
4-Chloro-2-{[2-(4-hydroxycyclohexylamino)-9-isopropyl-9H-purin-6-ylamino]-mShow More⌵

Mol. Formula:
C21H27ClN6O2

M.W.:
430.94

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
108.12

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2347584

Name:
2-[(2-Isobutylamino-9-isopropyl-9H-purin-6-ylamino)-methyl]-phenol

Mol. Formula:
C19H26N6O

M.W.:
354.46

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
87.89

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2347583

Name:
2-{[2-(3-Hydroxy-3-methylbutylamino)-9-isopropyl-9Hpurin-6-ylamino]-methyl}Show More⌵

Mol. Formula:
C20H28N6O2

M.W.:
384.48

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
108.12

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2347582

Name:
(S)-3-[6-(2-Aminobenzylamino)-9-isopropyl-9H-purin-2-ylamino]-2,4-dimethylpShow More⌵

Mol. Formula:
C22H33N7O

M.W.:
411.55

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
113.91

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2347581

Name:
4-[6-(2-Aminobenzylamino)-9-isopropyl-9H-purin-2-ylamino]-2-methylbutan-2-oShow More⌵

Mol. Formula:
C20H29N7O

M.W.:
383.50

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
113.91

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2347580

Name:
1-[6-(2-Aminobenzylamino)-9-isopropyl-9H-purin-2-ylamino]-2-methylpropan-2-Show More⌵

Mol. Formula:
C19H27N7O

M.W.:
369.47

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
113.91

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2347578

Name:
4-Fluoro-2-{[2-((R)-1-hydroxymethylpropylamino)-9-isopropyl-9H-purin-6-ylamShow More⌵

Mol. Formula:
C19H25FN6O2

M.W.:
388.45

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
108.12

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2347577

Name:
2-{[2-((R)-1-Ethyl-2-hydroxypropylamino)-9-isopropyl-9H-purin-6-ylamino]-meShow More⌵

Mol. Formula:
C20H27FN6O2

M.W.:
402.47

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
108.12

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2347576

Name:
4-Chloro-2-{[2-((S)-2-hydroxy-1,2-dimethyl-propylamino)-9-isopropyl-9H-puriShow More⌵

Mol. Formula:
C20H27ClN6O2

M.W.:
418.93

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
108.12

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2347574

Name:
4-Chloro-2-{[2-(2-hydroxy-2-methylpropylamino)-9-isopropyl-9H-purin-6-ylamiShow More⌵

Mol. Formula:
C19H25ClN6O2

M.W.:
404.90