Compounds

Type:
Small molecule

AlogP:
-0.43

Polar Surface Area:
261.13

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3706410

Name:
Phosphoric acid mono-[5-(6-amino-purin-9-yl)-3-hydroxy-1-oxo-tetrahydro-1laShow More⌵

Mol. Formula:
C10H14N5O6PS

M.W.:
363.29

Type:
Small molecule

AlogP:
-1.10

Polar Surface Area:
179.67

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3706409

Name:
Phosphoric acid mono-[5-(6-amino-purin-9-yl)-2-phosphonooxymethyl-tetrahydrShow More⌵

Mol. Formula:
C10H15N5O8P2S

M.W.:
427.27

Type:
Small molecule

AlogP:
0.00

Polar Surface Area:
203.14

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3706408

Name:
Phosphoric acid mono-[4-(6-amino-purin-9-yl)-2-phosphonooxymethyl-cyclopentShow More⌵

Mol. Formula:
C11H17N5O8P2

M.W.:
409.23

Type:
Small molecule

AlogP:
-0.05

Polar Surface Area:
203.14

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3706407

Name:
Triphosphoric acid mono-[2-(6-amino-purin-9-yl)-4-azido-5-phosphonooxymethyShow More⌵

Mol. Formula:
C10H16N8O15P4

M.W.:
612.18

Type:
Small molecule

AlogP:
-0.19

Polar Surface Area:
354.19

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3706406

Name:
Phosphoric acid mono-[4-(2-amino-6-methylamino-purin-9-yl)-2-phosphonooxymeShow More⌵

Mol. Formula:
C12H20N6O8P2

M.W.:
438.27

Type:
Small molecule

AlogP:
-0.01

Polar Surface Area:
215.17

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3351026

Name:
Disodium salt; Thiophosphoric acid O-(5-{6-amino-2-[2-(4-nitro-phenyl)-ethyShow More⌵

Mol. Formula:
C18H19N6Na2O8PS2

M.W.:
588.47

1 activity values

Type:
Small molecule

AlogP:
0.50

Polar Surface Area:
212.14

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3244493

Name:
Phosphoric acid mono-[5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahyShow 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

ALA3144486

Name:
Phosphoric acid mono-[5-(6-amino-8-bromo-purin-9-yl)-2-phosphonooxymethyl-tShow More⌵

Mol. Formula:
C10H14BrN5O9P2

M.W.:
490.10

Type:
Small molecule

AlogP:
0.05

Polar Surface Area:
212.37

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3144485

Name:
Phosphoric acid mono-[5-(6-ethylamino-purin-9-yl)-2-phosphonooxymethyl-tetrShow More⌵

Mol. Formula:
C12H19N5O9P2

M.W.:
439.26

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
198.38

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3144484

Name:
Phosphoric acid mono-[5-(6-benzoylamino-purin-9-yl)-2-phosphonooxymethyl-teShow More⌵

Mol. Formula:
C17H19N5O10P2

M.W.:
515.31

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
215.45

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3144483

Name:
Phosphoric acid mono-[5-(6-methylsulfanyl-purin-9-yl)-2-phosphonooxymethyl-Show More⌵

Mol. Formula:
C11H16N4O9P2S

M.W.:
442.28

Type:
Small molecule

AlogP:
0.42

Polar Surface Area:
186.35

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3144482

Name:
Phosphoric acid mono-[2-phosphonooxymethyl-5-(6-propylamino-purin-9-yl)-tetShow More⌵

Mol. Formula:
C13H21N5O9P2

M.W.:
453.29

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
198.38

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3144481

Name:
Phosphoric acid mono-[5-(6-dimethylamino-purin-9-yl)-2-phosphonooxymethyl-tShow More⌵

Mol. Formula:
C12H19N5O9P2

M.W.:
439.26

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
189.59

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3144480

Name:
{[5-(6-Amino-purin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydro-furan-2-ylmethShow More⌵

Mol. Formula:
C21H36N7O16P3S

M.W.:
767.54

Type:
Small molecule

AlogP:
-1.67

Polar Surface Area:
346.56

HBA:
18

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3144479

Name:
Phosphoric acid mono-[5-(6-chloro-purin-9-yl)-2-phosphonooxymethyl-tetrahydShow More⌵

Mol. Formula:
C10H13ClN4O9P2

M.W.:
430.63

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
186.35

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3144478

Name:
Phosphoric acid mono-[5-(6-hydroxy-purin-9-yl)-2-phosphonooxymethyl-tetrahyShow More⌵

Mol. Formula:
C10H14N4O10P2

M.W.:
412.19

Type:
Small molecule

AlogP:
-1.01

Polar Surface Area:
206.32

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3144477

Name:
Phosphoric acid mono-[5-(6-amino-purin-9-yl)-4-methoxy-2-phosphonooxymethylShow More⌵

Mol. Formula:
C11H17N5O10P2

M.W.:
441.23

Type:
Small molecule

AlogP:
-1.09

Polar Surface Area:
221.60

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3144476

Name:
Thiophosphoric acid 5-(6-amino-purin-9-yl)-2-thiophosphonooxymethyl-tetrahyShow More⌵

Mol. Formula:
C10H15N5O7P2S2

M.W.:
443.34

Type:
Small molecule

AlogP:
-0.48

Polar Surface Area:
178.23

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3144475

Name:
Phosphoric acid mono-(5-imidazo[2,1-i]purin-3-yl-2-phosphonooxymethyl-tetraShow More⌵

Mol. Formula:
C12H15N5O9P2

M.W.:
435.23