Compounds

ALA4587945

Name:
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Show More⌵

Mol. Formula:
C18H24N8O7S

M.W.:
496.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.26

Polar Surface Area:
220.46

HBA:
13

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4586616

Name:
((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-2-yShow More⌵

Mol. Formula:
C16H23N5O9S

M.W.:
461.45

7 activity values

7 unique targets

Type:
Unknown

AlogP:
-2.48

Polar Surface Area:
205.96

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4568431

Name:
((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofShow More⌵

Mol. Formula:
C16H21N5O10S

M.W.:
475.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.75

Polar Surface Area:
226.19

HBA:
13

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4568023

Name:
((2R,3S,4R,5R)-5-(6-amino-2-iodo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuraShow More⌵

Mol. Formula:
C16H21IN6O9S

M.W.:
600.35

7 activity values

7 unique targets

Type:
Unknown

AlogP:
-2.86

Polar Surface Area:
232.24

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4568021

Name:
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl Show More⌵

Mol. Formula:
C16H24N6O8S

M.W.:
460.47

10 activity values

9 unique targets

Type:
Unknown

AlogP:
-2.19

Polar Surface Area:
212.01

HBA:
13

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4558699

Name:
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Show More⌵

Mol. Formula:
C17H26N6O9S

M.W.:
490.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.56

Polar Surface Area:
221.24

HBA:
14

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4558291

Name:
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl Show More⌵

Mol. Formula:
C17H26N6O8S

M.W.:
474.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.53

Polar Surface Area:
201.01

HBA:
13

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4558130

Name:
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Show More⌵

Mol. Formula:
C16H24N6O9S

M.W.:
476.47

13 activity values

11 unique targets

Type:
Unknown

AlogP:
-3.22

Polar Surface Area:
232.24

HBA:
14

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4552909

Name:
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Show More⌵

Mol. Formula:
C16H24N6O7S2

M.W.:
476.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.25

Polar Surface Area:
191.78

HBA:
13

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4552486

Name:
((2S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-2-yl)methyl Show More⌵

Mol. Formula:
C16H24N6O8S

M.W.:
460.47

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.19

Polar Surface Area:
212.01

HBA:
13

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4549574

Name:
((2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl(Show More⌵

Mol. Formula:
C16H25N7O6S

M.W.:
443.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.19

Polar Surface Area:
197.57

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4545624

Name:
((2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Show More⌵

Mol. Formula:
C16H24N6O8S

M.W.:
460.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.19

Polar Surface Area:
212.01

HBA:
13

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4544182

Name:
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Show More⌵

Mol. Formula:
C17H20N8O7S

M.W.:
480.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.68

Polar Surface Area:
220.46

HBA:
13

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4543605

Name:
((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuShow More⌵

Mol. Formula:
C16H22Cl2N6O7S

M.W.:
513.36

7 activity values

7 unique targets

Type:
Unknown

AlogP:
-0.29

Polar Surface Area:
191.78

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4541520

Name:
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl Show More⌵

Mol. Formula:
C16H24N6O7S

M.W.:
444.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.16

Polar Surface Area:
191.78

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4537589

Name:
((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-2-yShow More⌵

Mol. Formula:
C16H23N5O9S

M.W.:
461.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.48

Polar Surface Area:
205.96

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4534796

Name:
((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-(methylamino)-9H-purin-9-yl)tetrahydrofurShow More⌵

Mol. Formula:
C18H28N6O8S

M.W.:
488.52

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.07

Polar Surface Area:
187.02

HBA:
13

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4532728

Name:
((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuShow More⌵

Mol. Formula:
C17H25ClN6O9S

M.W.:
524.94

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.91

Polar Surface Area:
221.24

HBA:
14

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4524837

Name:
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Show More⌵

Mol. Formula:
C16H22N6O7S

M.W.:
442.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.38

Polar Surface Area:
191.78

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4520733

Name:
((3aR,4S,6R,6aR)-6-(6-Amino-9H-purin-9-yl)-2-iminohexahydrofuro[3,4-d]oxazoShow More⌵

Mol. Formula:
C17H21N7O9S

M.W.:
499.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.71

Polar Surface Area:
230.11

HBA:
14

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS