Compounds

ALA3706405

Name:
[2-amino-4-{3-[5-(6-amino-9H-9-purinyl)-3,4-dihydr
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Mol. Formula:
C16H28N7O14P3S

M.W.:
667.42

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.76

Polar Surface Area:
345.25

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3706404

Name:
[2-amino-4-{3-[5-(6-amino-9H-9-purinyl)-3,4-dihydr
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Mol. Formula:
C16H28N7O14P3S

M.W.:
667.42

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.76

Polar Surface Area:
345.25

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3706403

Name:
2-Amino-4-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy
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Mol. Formula:
C16H28N7O14P3S

M.W.:
667.42

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.76

Polar Surface Area:
345.25

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3706402

Name:
6-amino-9-[5'(R)-C-(L-homocystein-S-yl-methyl)-bet
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Mol. Formula:
C15H26N7O14P3S

M.W.:
653.40

16 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.15

Polar Surface Area:
345.25

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA1791426

Name:
2-Amino-4-{2-[5-(6-amino-purin-9-yl)-3,4-dihydroxy
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Mol. Formula:
C15H26N7O14P3S

M.W.:
653.40

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.15

Polar Surface Area:
345.25

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1791425

Name:
2-Amino-4-{2-[5-(6-amino-purin-9-yl)-3,4-dihydroxy
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Mol. Formula:
C16H28N7O14P3S

M.W.:
667.42

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.76

Polar Surface Area:
345.25

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA1791411

Name:
2-Amino-4-{1-[5-(6-amino-1,6-dihydro-purin-9-yl)-3
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Mol. Formula:
C15H28N7O13P3S

M.W.:
639.41

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.20

Polar Surface Area:
334.63

HBA:
15

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA609078

Name:
2-Amino-4-{2-(N-triphosphoamino)-1-[5-(6-amino-pur
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Mol. Formula:
C15H26N7O14P3S

M.W.:
653.40

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.15

Polar Surface Area:
345.25

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA607665

Name:
2-(2-(N-Triphosphoamino)ethyl)-5-(6-amino-purin-9-
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Mol. Formula:
C11H19N6O12P3

M.W.:
520.23

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.67

Polar Surface Area:
281.93

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA603986

Name:
2-Amino-4-{2-[5-(6-amino-1,6-dihydro-purin-9-yl)-3
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Mol. Formula:
C15H28N7O15P3S

M.W.:
671.41

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.33

Polar Surface Area:
353.09

HBA:
17

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA606493

Name:
2-Amino-4-{1-[5-(6-amino-1,6-dihydro-purin-9-yl)-3
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Mol. Formula:
C15H28N7O14P3S

M.W.:
655.41

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.27

Polar Surface Area:
343.86

HBA:
16

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS