Compounds

Type:
Small molecule

AlogP:
-0.67

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2113489

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid cycShow More⌵

Mol. Formula:
C16H22N6O4

M.W.:
362.39

8 activity values

Type:
Small molecule

AlogP:
-0.52

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2113436

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid terShow More⌵

Mol. Formula:
C14H20N6O4

M.W.:
336.35

7 activity values

Type:
Small molecule

AlogP:
-1.06

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2092859

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (4-Show More⌵

Mol. Formula:
C17H24N6O4

M.W.:
376.42

Type:
Small molecule

AlogP:
-0.28

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2092773

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (4-Show More⌵

Mol. Formula:
C17H24N6O4

M.W.:
376.42

Type:
Small molecule

AlogP:
-0.28

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1791423

Name:
2-(6-Amino-purin-9-yl)-5-(1-hydroxy-prop-2-ynyl)-tetrahydro-furan-3,4-diol

Mol. Formula:
C12H13N5O4

M.W.:
291.27

8 activity values

Type:
Small molecule

AlogP:
-1.98

Polar Surface Area:
139.54

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA608895

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid secShow More⌵

Mol. Formula:
C14H20N6O4

M.W.:
336.35

Type:
Small molecule

AlogP:
-1.06

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA608596

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid bicShow More⌵

Mol. Formula:
C17H22N6O4

M.W.:
374.40

Type:
Small molecule

AlogP:
-0.67

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA608595

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid hydShow More⌵

Mol. Formula:
C10H12N6O5

M.W.:
296.24

Type:
Small molecule

AlogP:
-2.47

Polar Surface Area:
168.64

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA609776

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (8-Show More⌵

Mol. Formula:
C18H29N7O4

M.W.:
407.48

Type:
Small molecule

AlogP:
-0.56

Polar Surface Area:
174.43

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA609775

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-Show More⌵

Mol. Formula:
C14H19N7O5

M.W.:
365.35

Type:
Small molecule

AlogP:
-2.72

Polar Surface Area:
177.51

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA609774

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid adaShow More⌵

Mol. Formula:
C20H26N6O4

M.W.:
414.47

Type:
Small molecule

AlogP:
-0.03

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA609773

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid cycShow More⌵

Mol. Formula:
C17H24N6O4

M.W.:
376.42

Type:
Small molecule

AlogP:
-0.13

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA609487

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (8-Show More⌵

Mol. Formula:
C20H31N7O5

M.W.:
449.51

Type:
Small molecule

AlogP:
-0.38

Polar Surface Area:
177.51

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA608893

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid cycShow More⌵

Mol. Formula:
C18H26N6O4

M.W.:
390.44

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA608591

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-Show More⌵

Mol. Formula:
C17H24N6O4

M.W.:
376.42

Type:
Small molecule

AlogP:
-0.28

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA608587

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethShow More⌵

Mol. Formula:
C12H16N6O5

M.W.:
324.30

Type:
Small molecule

AlogP:
-1.90

Polar Surface Area:
157.64

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA608296

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid octShow More⌵

Mol. Formula:
C18H28N6O4

M.W.:
392.46

Type:
Small molecule

AlogP:
0.50

Polar Surface Area:
148.41

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA608293

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid isoShow More⌵

Mol. Formula:
C14H20N6O5

M.W.:
352.35

Type:
Small molecule

AlogP:
-1.27

Polar Surface Area:
157.64

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA608003

Name:
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid 3,4Show More⌵

Mol. Formula:
C19H22N6O6

M.W.:
430.42