Compounds

Type:
Unknown

AlogP:
-0.75

Polar Surface Area:
177.61

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4567850

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

Mol. Formula:
C20H24N7O7P

M.W.:
505.43

Type:
Unknown

AlogP:
-0.25

Polar Surface Area:
213.63

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4563350

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

Mol. Formula:
C15H22N6O6

M.W.:
382.38

Type:
Unknown

AlogP:
-1.20

Polar Surface Area:
168.82

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4549100

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

Mol. Formula:
C17H19N7O5

M.W.:
401.38

Type:
Unknown

AlogP:
-0.14

Polar Surface Area:
183.66

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4547823

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

Mol. Formula:
C21H24N8O7S

M.W.:
532.54

Type:
Unknown

AlogP:
-1.61

Polar Surface Area:
230.34

HBA:
11

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4543014

Name:
((2R,3S,4R,5R)-5-(2-amino-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidin-7-yl)-3,4Show More⌵

Mol. Formula:
C22H23N5O8S2

M.W.:
549.59

Type:
Unknown

AlogP:
0.22

Polar Surface Area:
209.72

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4537959

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

Mol. Formula:
C21H23N7O8S

M.W.:
533.52

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.19

Polar Surface Area:
227.54

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4532499

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

Mol. Formula:
C14H20N6O8S

M.W.:
432.42

1 activity values

Type:
Unknown

AlogP:
-2.50

Polar Surface Area:
211.75

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4527477

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

Mol. Formula:
C13H19N7O5

M.W.:
353.34

Type:
Unknown

AlogP:
-1.64

Polar Surface Area:
183.66

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4527068

Name:
3-(1H-indol-3-yl)propanoic (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-diShow More⌵

Mol. Formula:
C21H23N6O8P

M.W.:
518.42

1 activity values

Type:
Unknown

AlogP:
0.80

Polar Surface Area:
207.93

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4524307

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

Mol. Formula:
C16H20N8O6

M.W.:
420.39

Type:
Unknown

AlogP:
-1.99

Polar Surface Area:
206.29

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4069389

Name:
9-((2R,3R,4S,5R)-5-(((((2-(1H-Indol-3-yl)ethyl)amino)-(hydroxy)phosphoryl)oShow More⌵

Mol. Formula:
C28H32ClN7O8P+

M.W.:
661.03

14 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
213.85

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

Gemcitabine monophosphate

Name:
Gemcitabine 5'-O-phosphate

Mol. Formula:
C9H12F2N3O7P

M.W.:
343.18

3 activity values

Type:
Small molecule

AlogP:
-1.17

Polar Surface Area:
157.13

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA566411

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

Mol. Formula:
C19H22N7O6P

M.W.:
475.40

Type:
Small molecule

AlogP:
0.42

Polar Surface Area:
193.66

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA567111

Name:
((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2Show More⌵

Mol. Formula:
C21H25N4O10P

M.W.:
524.42

Type:
Small molecule

AlogP:
-0.43

Polar Surface Area:
205.20

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA566898

Name:
((2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetShow More⌵

Mol. Formula:
C19H22N7O6P

M.W.:
475.40

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
187.20

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA567306

Name:
((2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetShow More⌵

Mol. Formula:
C21H24N7O8P

M.W.:
533.44