Compounds

Type:
Small molecule

AlogP:
-0.21

Polar Surface Area:
128.54

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1814817

Name:
(2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-4-fluoro-2-(hydroxymethylShow More⌵

Mol. Formula:
C12H16FN5O4

M.W.:
313.29

Type:
Small molecule

AlogP:
-0.60

Polar Surface Area:
128.54

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1812065

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

Mol. Formula:
C10H13ClN5O7P

M.W.:
381.67

Type:
Small molecule

AlogP:
-1.21

Polar Surface Area:
186.07

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1812064

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

Mol. Formula:
C11H16N5O7PS

M.W.:
393.32

Type:
Small molecule

AlogP:
-1.14

Polar Surface Area:
186.07

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1812063

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

Mol. Formula:
C10H14N5O7PS

M.W.:
379.29

Type:
Small molecule

AlogP:
-1.20

Polar Surface Area:
188.97

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1812062

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

Mol. Formula:
C14H21FN5O7P

M.W.:
421.32

Type:
Small molecule

AlogP:
0.29

Polar Surface Area:
175.07

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1812061

Name:
2-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yShow More⌵

Mol. Formula:
C14H18N5O11P

M.W.:
463.30

Type:
Small molecule

AlogP:
-2.11

Polar Surface Area:
246.68

HBA:
12

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1812060

Name:
((2R,3S,4R,5R)-3,4-dihydroxy-5-(3H-imidazo[1,2-i]purin-3-yl)tetrahydrofuranShow More⌵

Mol. Formula:
C12H14N5O7P

M.W.:
371.25

Type:
Small molecule

AlogP:
-1.19

Polar Surface Area:
164.46

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1812059

Name:
((2R,3R,4R,5R)-5-(2-amino-6-(azetidin-1-yl)-9H-purin-9-yl)-4-fluoro-3-hydroShow More⌵

Mol. Formula:
C14H20FN6O6P

M.W.:
418.32

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
169.08

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1812058

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

Mol. Formula:
C15H22N5O7P

M.W.:
415.34

Type:
Small molecule

AlogP:
-0.09

Polar Surface Area:
172.08

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1812057

Name:
((2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-3,4-dihydroxy-4-methylteShow More⌵

Mol. Formula:
C12H18N5O8P

M.W.:
391.28

Type:
Small molecule

AlogP:
-1.46

Polar Surface Area:
195.30

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1812056

Name:
(S)-2-[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyShow More⌵

Mol. Formula:
C29H36FN6O8P

M.W.:
646.61

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
182.17

HBA:
13

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1812055

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

Mol. Formula:
C15H22FN6O8P

M.W.:
464.35

Type:
Small molecule

AlogP:
-0.42

Polar Surface Area:
204.17

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1812054

Name:
(4aR,6R,7R,7aR)-6-(2-Amino-6-ethoxy-purin-9-yl)-7-fluoro-7-methyl-2-oxo-tetShow More⌵

Mol. Formula:
C13H17FN5O6P

M.W.:
389.28

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
143.84

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1812053

Name:
((2R,3R,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-4-fluoro-3-hydroxy-4-methShow More⌵

Mol. Formula:
C13H21FN5O13P3

M.W.:
567.25

Type:
Small molecule

AlogP:
0.14

Polar Surface Area:
268.13

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1812052

Name:
((2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-4-fluoro-3-hydroxy-4-metShow More⌵

Mol. Formula:
C12H18FN5O10P2

M.W.:
473.25

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
221.60

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1812051

Name:
((2R,3R,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-4-fluoro-3-hydroxy-4-methShow More⌵

Mol. Formula:
C13H19FN5O7P

M.W.:
407.30

Type:
Small molecule

AlogP:
-0.10

Polar Surface Area:
175.07

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1812050

Name:
((2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-4-fluoro-3-hydroxy-4-metShow More⌵

Mol. Formula:
C12H17FN5O7P

M.W.:
393.27

Type:
Small molecule

AlogP:
-0.49

Polar Surface Area:
175.07

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1812049

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

Mol. Formula:
C11H16N5O8P

M.W.:
377.25

Type:
Small molecule

AlogP:
-1.85

Polar Surface Area:
195.30

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1230511

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

Mol. Formula:
C11H16N5O7P

M.W.:
361.25