Compounds

Type:
Unknown

AlogP:
-0.18

Polar Surface Area:
139.18

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4794716

Name:
(1S,2R,3S,4R,5S)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.Show More⌵

Mol. Formula:
C13H16N6O3

M.W.:
304.31

Type:
Unknown

AlogP:
-1.56

Polar Surface Area:
139.18

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4794637

Name:
(1S,2R,3S,4R,5S)-4-(6-amino-9H-purin-9-yl)-N-(2,2-difluorocyclopropyl)-2,3-Show More⌵

Mol. Formula:
C15H16F2N6O3

M.W.:
366.33

14 activity values

5 unique targets

Type:
Unknown

AlogP:
-0.78

Polar Surface Area:
139.18

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4792645

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

Mol. Formula:
C13H16N6O6

M.W.:
352.31

Type:
Unknown

AlogP:
-2.38

Polar Surface Area:
185.71

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4788661

Name:
(1S,2R,3S,4R,5S)-4-(2-amino-6-(ethylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-mShow More⌵

Mol. Formula:
C15H21N7O3

M.W.:
347.38

Type:
Unknown

AlogP:
-1.13

Polar Surface Area:
151.21

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4786085

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

Mol. Formula:
C12H15FN6O4

M.W.:
326.29

Type:
Unknown

AlogP:
-1.89

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4782784

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

Mol. Formula:
C13H14F2N6O4

M.W.:
356.29

Type:
Unknown

AlogP:
-1.45

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4782644

Name:
(1S,2R,3S,4R,5S)-4-(6-amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbShow More⌵

Mol. Formula:
C13H15ClN6O3

M.W.:
338.75

Type:
Unknown

AlogP:
-0.91

Polar Surface Area:
139.18

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4782467

Name:
(1S,2R,3S,4R,5S)-4-(6-amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.Show More⌵

Mol. Formula:
C12H13ClN6O3

M.W.:
324.73

Type:
Unknown

AlogP:
-1.17

Polar Surface Area:
153.17

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4781869

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

Mol. Formula:
C13H18N6O6

M.W.:
354.32

Type:
Unknown

AlogP:
-3.50

Polar Surface Area:
188.87

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4778706

Name:
(1S,2R,3S,4R,5S)-4-(6-amino-9H-purin-9-yl)-N-(3-fluoropropyl)-2,3-dihydroxyShow More⌵

Mol. Formula:
C15H19FN6O3

M.W.:
350.35

Type:
Unknown

AlogP:
-0.83

Polar Surface Area:
139.18

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4778617

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

Mol. Formula:
C10H12N6O4

M.W.:
280.24

Type:
Unknown

AlogP:
-2.49

Polar Surface Area:
162.40

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4762917

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

Mol. Formula:
C16H16N6O5

M.W.:
372.34

Type:
Unknown

AlogP:
-0.72

Polar Surface Area:
158.50

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

2-mercaptoadenosine

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

Mol. Formula:
C10H13N5O4S

M.W.:
299.31

Type:
Unknown

AlogP:
-1.69

Polar Surface Area:
139.54

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4759912

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

Mol. Formula:
C12H15N7O5

M.W.:
337.30

Type:
Unknown

AlogP:
-3.37

Polar Surface Area:
191.50

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4757309

Name:
(1S,2R,3S,4R,5S)-4-(6-amino-2-chloro-9H-purin-9-yl)-N-(2,2-difluoroethyl)-2Show More⌵

Mol. Formula:
C14H15ClF2N6O3

M.W.:
388.76

Type:
Unknown

AlogP:
-0.27

Polar Surface Area:
139.18

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4755963

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

Mol. Formula:
C13H17FN6O4

M.W.:
340.32

Type:
Unknown

AlogP:
-1.50

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4753229

Name:
(2S,3S,4R,5R)-5-(2,6-diamino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydroShow More⌵

Mol. Formula:
C12H17N7O4

M.W.:
323.31

Type:
Unknown

AlogP:
-2.25

Polar Surface Area:
174.43

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4750131

Name:
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(oxetan-3-yl)tetrahShow More⌵

Mol. Formula:
C13H16N6O5

M.W.:
336.31