Compounds

Type:
Small molecule

AlogP:
0.02

Polar Surface Area:
128.18

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA107243

Name:
2-{[(1R,4S)-4-(6-amino-9H-purin-9-yl)cyclopent-2-en-1-yl]oxy}acetic acid

Mol. Formula:
C12H13N5O3

M.W.:
275.27

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA105636

Name:
2-{[(1R,4S)-4-(6-amino-9H-purin-9-yl)cyclopent-2-en-1-yl]oxy}-N-hydroxyacetShow More⌵

Mol. Formula:
C12H14N6O3

M.W.:
290.28

Type:
Small molecule

AlogP:
-0.20

Polar Surface Area:
128.18

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA108067

Name:
[(S)-3-((S)-6-Amino-purin-9-yl)-cyclopentyloxy]-acetic acid

Mol. Formula:
C12H15N5O3

M.W.:
277.28

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA106750

Name:
2-{[(1S,4R)-4-(6-amino-9H-purin-9-yl)cyclopent-2-en-1-yl]oxy}acetic acid

Mol. Formula:
C12H13N5O3

M.W.:
275.27

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA106689

Name:
[(R)-3-((R)-6-Amino-purin-9-yl)-cyclopentyloxy]-acetic acid

Mol. Formula:
C12H15N5O3

M.W.:
277.28

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA420654

Name:
2-{[(1S,4S)-4-(6-amino-9H-purin-9-yl)cyclopent-2-en-1-yl]oxy}acetic acid

Mol. Formula:
C12H14N6O3

M.W.:
290.28

Type:
Small molecule

AlogP:
-0.20

Polar Surface Area:
128.18

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA320979

Name:
2-{[(1S,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]oxy}acetic acid

Mol. Formula:
C12H16N6O3

M.W.:
292.30

Type:
Small molecule

AlogP:
0.02

Polar Surface Area:
128.18

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA322057

Name:
2-{[(1S,4S)-4-(6-amino-9H-purin-9-yl)cyclopent-2-en-1-yl]oxy}acetic acid

Mol. Formula:
C12H13N5O3

M.W.:
275.27

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA323341

Name:
2-{[(1S,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]oxy}acetic acid

Mol. Formula:
C12H15N5O3

M.W.:
277.28

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA326449

Name:
2-{[(1R,4R)-4-(6-amino-9H-purin-9-yl)cyclopent-2-en-1-yl]oxy}acetic acid

Mol. Formula:
C12H13N5O3

M.W.:
275.27

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA104185

Name:
2-{[(1R,3R)-3-(6-amino-9H-purin-9-yl)cyclopentyl]oxy}acetic acid

Mol. Formula:
C12H15N5O3

M.W.:
277.28

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA317455

Name:
7-(6-Amino-purin-9-yl)-heptanoic acid ethyl ester

Mol. Formula:
C14H21N5O2

M.W.:
291.36

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
95.92

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA322025

Name:
[2-(6-Amino-purin-9-yl)-ethyl]-hydroxycarbamoylmethyl-carbamic acid tert-buShow More⌵

Mol. Formula:
C14H21N7O4

M.W.:
351.37

Type:
Small molecule

AlogP:
0.15

Polar Surface Area:
148.49

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA102338

Name:
{[2-(6-Amino-purin-9-yl)-ethyl]-tert-butoxycarbonyl-amino}-acetic acid

Mol. Formula:
C14H20N6O4

M.W.:
336.35

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
136.46

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA319262

Name:
{[3-(6-Amino-purin-9-yl)-propyl]-tert-butoxycarbonyl-amino}-acetic acid

Mol. Formula:
C15H22N6O4

M.W.:
350.38

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
136.46

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA105178

Name:
2-[3-(6-Amino-purin-9-yl)-propoxy]-N-hydroxy-acetamide

Mol. Formula:
C10H14N6O3

M.W.:
266.26

Type:
Small molecule

AlogP:
-0.68

Polar Surface Area:
128.18

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA320109

Name:
{[2-(6-Amino-purin-9-yl)-ethyl]-tert-butoxycarbonyl-amino}-acetic acid methShow More⌵

Mol. Formula:
C15H22N6O4

M.W.:
350.38

Type:
Small molecule

AlogP:
0.82

Polar Surface Area:
125.46

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA104919

Name:
7-(6-Amino-purin-9-yl)-heptanoic acid

Mol. Formula:
C12H17N5O2

M.W.:
263.30

Type:
Small molecule

AlogP:
1.44

Polar Surface Area:
106.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA104972

Name:
[3-(6-Amino-purin-9-yl)-propoxy]-acetic acid ethyl ester

Mol. Formula:
C12H17N5O3

M.W.:
279.30