Compounds

ALA609789

Name:
2-(6-Amino-purin-9-yl)-5-((S)-1-hydroxy-pentyl)-tetrahydro-furan-3,4-diol

Mol. Formula:
C14H21N5O4

M.W.:
323.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.42

Polar Surface Area:
139.54

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA609167

Name:
2-(6-Amino-purin-9-yl)-5-chloromethyl-tetrahydro-furan-3,4-diol

Mol. Formula:
C10H12ClN5O3

M.W.:
285.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.73

Polar Surface Area:
119.31

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA608275

Name:
2-(6-Amino-purin-9-yl)-5-((R)-1-hydroxy-prop-2-ynyl)-tetrahydro-furan-3,4-dShow More⌵

Mol. Formula:
C12H13N5O4

M.W.:
291.27

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
-1.98

Polar Surface Area:
139.54

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA608272

Name:
2-(6-Amino-purin-9-yl)-5-((R)-1-hydroxy-pentyl)-tetrahydro-furan-3,4-diol

Mol. Formula:
C14H21N5O4

M.W.:
323.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.42

Polar Surface Area:
139.54

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA607988

Name:
2-(6-Amino-purin-9-yl)-5-phenylsulfanylmethyl-tetrahydro-furan-3,4-diol

Mol. Formula:
C16H17N5O3S

M.W.:
359.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.82

Polar Surface Area:
119.31

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA62847

Name:
2-(6-Amino-purin-9-yl)-5-propylsulfanylmethyl-tetrahydro-furan-3,4-diol (PTShow More⌵

Mol. Formula:
C13H19N5O3S

M.W.:
325.39

18 activity values

7 unique targets

Type:
Small molecule

AlogP:
0.17

Polar Surface Area:
119.31

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA606438

Name:
2-(6-Amino-purin-9-yl)-5-((S)-1-hydroxy-prop-2-ynyl)-tetrahydro-furan-3,4-dShow More⌵

Mol. Formula:
C12H13N5O4

M.W.:
291.27

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
-1.98

Polar Surface Area:
139.54

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA606437

Name:
2-(6-Amino-purin-9-yl)-5-benzylsulfanylmethyl-tetrahydro-furan-3,4-diol

Mol. Formula:
C17H19N5O3S

M.W.:
373.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.96

Polar Surface Area:
119.31

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA606436

Name:
2-(6-Amino-purin-9-yl)-5-azidomethyl-tetrahydro-furan-3,4-diol

Mol. Formula:
C10H12N8O3

M.W.:
292.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.66

Polar Surface Area:
168.07

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA606435

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid dimShow More⌵

Mol. Formula:
C12H16N6O4

M.W.:
308.30

9 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.88

Polar Surface Area:
139.62

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA604208

Name:
(2R,5R)-2-(6-Amino-purin-9-yl)-5-ethynyl-tetrahydro-furan-3,4-diol

Mol. Formula:
C11H11N5O3

M.W.:
261.24

20 activity values

12 unique targets

Type:
Small molecule

AlogP:
-1.34

Polar Surface Area:
119.31

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA603354

Name:
(2R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carbonitrilShow More⌵

Mol. Formula:
C10H10N6O3

M.W.:
262.23

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
-1.45

Polar Surface Area:
143.10

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS