Compounds

ALA1163091

Name:
4-[6-Amino-9-(3,4-dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-9H-Show More⌵

Mol. Formula:
C18H20N5O9PS

M.W.:
513.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
223.37

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA611310

Name:
Phosphoric acid mono-{3,4-dihydroxy-5-[2-(3-nitro-benzylsulfanyl)-6-oxo-1,6Show More⌵

Mol. Formula:
C17H18N5O10PS

M.W.:
515.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.46

Polar Surface Area:
223.42

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA609844

Name:
Phosphoric acid mono-[5-(2-benzyl-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroShow More⌵

Mol. Formula:
C17H19N4O8P

M.W.:
438.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.15

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA609561

Name:
Phosphoric acid mono-[5-(2-hexyl-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroxShow More⌵

Mol. Formula:
C16H25N4O8P

M.W.:
432.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA607793

Name:
Phosphoric acid mono-[5-(2-heptyl-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroShow More⌵

Mol. Formula:
C17H27N4O8P

M.W.:
446.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA611006

Name:
Phosphoric acid mono-{5-[2-(2-chloro-benzylsulfanyl)-6-oxo-1,6-dihydro-puriShow More⌵

Mol. Formula:
C17H18ClN4O8PS

M.W.:
504.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
180.28

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA610154

Name:
Phosphoric acid mono-{5-[2-(2-chloro-4-nitro-benzylsulfanyl)-6-oxo-1,6-dihyShow More⌵

Mol. Formula:
C17H17ClN5O10PS

M.W.:
549.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
234.28

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA608363

Name:
Phosphoric acid mono-[3,4-dihydroxy-5-(2-nonyl-6-oxo-1,6-dihydro-purin-9-ylShow More⌵

Mol. Formula:
C19H31N4O8P

M.W.:
474.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.55

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA608081

Name:
Phosphoric acid mono-{5-[2-(3,5-dinitro-benzylsulfanyl)-6-oxo-1,6-dihydro-pShow More⌵

Mol. Formula:
C17H17N6O12PS

M.W.:
560.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.37

Polar Surface Area:
266.56

HBA:
15

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA612226

Name:
Phosphoric acid mono-{3,4-dihydroxy-5-[2-(4-nitro-benzylsulfanyl)-6-oxo-1,6Show More⌵

Mol. Formula:
C17H18N5O10PS

M.W.:
515.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.46

Polar Surface Area:
223.42

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA611911

Name:
Phosphoric acid mono-[3,4-dihydroxy-5-(6-oxo-2-pyridin-3-yl-1,6-dihydro-purShow More⌵

Mol. Formula:
C15H16N5O8P

M.W.:
425.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.68

Polar Surface Area:
193.17

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA611910

Name:
Phosphoric acid mono-[5-(2-decyl-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroxShow More⌵

Mol. Formula:
C20H33N4O8P

M.W.:
488.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA611601

Name:
Phosphoric acid mono-[3,4-dihydroxy-5-(2-octyl-6-oxo-1,6-dihydro-purin-9-ylShow More⌵

Mol. Formula:
C18H29N4O8P

M.W.:
460.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA610999

Name:
Phosphoric acid mono-[3,4-dihydroxy-5-(6-oxo-2-phenyl-1,6-dihydro-purin-9-yShow More⌵

Mol. Formula:
C16H17N4O8P

M.W.:
424.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.07

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA610716

Name:
Phosphoric acid mono-[3,4-dihydroxy-5-(6-oxo-2-pyridin-3-ylmethyl-1,6-dihydShow More⌵

Mol. Formula:
C16H18N5O8P

M.W.:
439.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.75

Polar Surface Area:
193.17

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA609836

Name:
Phosphoric acid mono-{3,4-dihydroxy-5-[2-(4-methoxy-phenyl)-6-oxo-1,6-dihydShow More⌵

Mol. Formula:
C17H19N4O9P

M.W.:
454.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.06

Polar Surface Area:
189.51

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA606224

Name:
Phosphoric acid mono-{5-[6-amino-8-(3-nitro-benzylsulfanyl)-purin-9-yl]-3,4Show More⌵

Mol. Formula:
C17H19N6O9PS

M.W.:
514.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.34

Polar Surface Area:
229.21

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA606014

Name:
Phosphoric acid mono-{5-[6-amino-8-(3-phenyl-propylsulfanyl)-purin-9-yl]-3,Show More⌵

Mol. Formula:
C19H24N5O7PS

M.W.:
497.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.86

Polar Surface Area:
186.07

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA604968

Name:
Phosphoric acid mono-[5-(8-benzylamino-6-oxo-1,6-dihydro-purin-9-yl)-3,4-diShow More⌵

Mol. Formula:
C17H20N5O8P

M.W.:
453.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.13

Polar Surface Area:
192.31

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA603714

Name:
Phosphoric acid mono-[3,4-dihydroxy-5-(6-oxo-8-phenylsulfanyl-1,6-dihydro-pShow More⌵

Mol. Formula:
C16H17N4O8PS

M.W.:
456.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.41

Polar Surface Area:
180.28

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS