Compounds

ALA3314940

Name:
(((((2R,3S,4R,5R)-5-(6-amino-8-sec-butyl-9H-purin-9-yl)-3,4-dihydroxytetrahShow More⌵

Mol. Formula:
C15H26N5O12P3

M.W.:
561.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.00

Polar Surface Area:
269.90

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3314939

Name:
((2R,3S,4R,5R)-5-(6-amino-8-sec-butyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrShow More⌵

Mol. Formula:
C14H23N5O10P2

M.W.:
483.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
232.60

HBA:
12

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3314938

Name:
({[({[(2R,3S,4R,5R)-5-[6-amino-8-(butan-2-yl)-9H-purin-9-yl]-3,4-dihydroxyoShow More⌵

Mol. Formula:
C14H25N6O12P3

M.W.:
562.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.54

Polar Surface Area:
281.93

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3314937

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

Mol. Formula:
C24H26N5O7P

M.W.:
527.47

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
163.29

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3314936

Name:
N6',N6''-Dibenzyladenosine 5'-triphosphate

Mol. Formula:
C24H28N5O13P3

M.W.:
687.43

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
256.35

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3314935

Name:
N6',N6''-Diethyladenosine 5'-triphosphate

Mol. Formula:
C14H24N5O13P3

M.W.:
563.29

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
256.35

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3314934

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

Mol. Formula:
C12H20N5O13P3

M.W.:
535.24

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
-1.15

Polar Surface Area:
256.35

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3314933

Name:
((2R,3S,4R,5R)-5-(7-amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-3,4-dihyShow More⌵

Mol. Formula:
C9H15N6O13P3

M.W.:
508.17

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
-2.23

Polar Surface Area:
292.02

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3314932

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

Mol. Formula:
C17H30N5O12P3S

M.W.:
621.44

9 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.15

Polar Surface Area:
269.90

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3314931

Name:
((2R,3S,4R,5R)-5-(7-amino-5-(hexylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-Show More⌵

Mol. Formula:
C15H27N6O13P3S

M.W.:
624.40

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
292.02

HBA:
16

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA1234197

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

Mol. Formula:
C12H18N5O7P

M.W.:
375.28

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
-1.38

Polar Surface Area:
163.29

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA469243

Name:
4-[(2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytShow More⌵

Mol. Formula:
C18H29N4O10P

M.W.:
492.42

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
-1.61

Polar Surface Area:
198.28

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS