Compounds

ALA3143943

Name:
Phosphoric acid mono-[3-hydroxy-5-(6-oxo-2-phenylamino-1,6-dihydro-purin-9-Show More⌵

Mol. Formula:
C16H18N5O7P

M.W.:
423.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.31

Polar Surface Area:
165.64

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3143941

Name:
Phosphoric acid mono-{5-[2-(4-butyl-phenylamino)-6-oxo-1,6-dihydro-purin-9-Show More⌵

Mol. Formula:
C20H26N5O7P

M.W.:
479.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.03

Polar Surface Area:
165.64

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3143229

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-isothiazol-5-yl-1H-pyShow More⌵

Mol. Formula:
C12H13N3O5S

M.W.:
311.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.70

Polar Surface Area:
117.44

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3143226

Name:
5-(3-Bromo-thiophen-2-yl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yShow More⌵

Mol. Formula:
C13H13BrN2O5S

M.W.:
389.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3143225

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-phenyl-1H-pyrimidine-Show More⌵

Mol. Formula:
C15H16N2O5

M.W.:
304.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.16

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3143224

Name:
5-(3,5-Dibromo-thiophen-2-yl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furanShow More⌵

Mol. Formula:
C13H12Br2N2O5S

M.W.:
468.12

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3143223

Name:
5-(4-Bromo-thiophen-3-yl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yShow More⌵

Mol. Formula:
C13H13BrN2O5S

M.W.:
389.23

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2368961

Name:
5-(3-Bromo-isoxazol-5-yl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yShow More⌵

Mol. Formula:
C12H12BrN3O6

M.W.:
374.15

Type:
Small molecule

AlogP:
-0.41

Polar Surface Area:
130.58

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2367583

Name:
5-Furan-2-yl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidShow More⌵

Mol. Formula:
C13H14N2O6

M.W.:
294.26

Type:
Small molecule

AlogP:
-0.56

Polar Surface Area:
117.69

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2367580

Name:
5-(5-Bromo-furan-2-yl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-Show More⌵

Mol. Formula:
C13H13BrN2O6

M.W.:
373.16

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
117.69

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2367579

Name:
5-(5-Chloro-furan-2-yl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)Show More⌵

Mol. Formula:
C13H13ClN2O6

M.W.:
328.71

Type:
Small molecule

AlogP:
0.09

Polar Surface Area:
117.69

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2367577

Name:
5-(5-Chloro-thiophen-2-yl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-Show More⌵

Mol. Formula:
C13H13ClN2O5S

M.W.:
344.78

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1791157

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-3-yl-1H-pyriShow More⌵

Mol. Formula:
C13H14N2O5S

M.W.:
310.33

19 activity values

9 unique targets

Type:
Small molecule

AlogP:
-0.09

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1791154

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-isoxazol-5-yl-1H-pyriShow More⌵

Mol. Formula:
C12H13N3O6

M.W.:
295.25

16 activity values

7 unique targets

Type:
Small molecule

AlogP:
-1.17

Polar Surface Area:
130.58

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1791152

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(5-methyl-thiophen-2-Show More⌵

Mol. Formula:
C14H16N2O5S

M.W.:
324.36

19 activity values

9 unique targets

Type:
Small molecule

AlogP:
0.21

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1791149

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyriShow More⌵

Mol. Formula:
C13H14N2O5S

M.W.:
310.33

37 activity values

11 unique targets

Type:
Small molecule

AlogP:
-0.09

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1791148

Name:
5-Furan-3-yl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidShow More⌵

Mol. Formula:
C13H14N2O6

M.W.:
294.26

19 activity values

9 unique targets

Type:
Small molecule

AlogP:
-0.56

Polar Surface Area:
117.69

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1231486

Name:
5-(5-Bromo-thiophen-2-yl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yShow More⌵

Mol. Formula:
C13H13BrN2O5S

M.W.:
389.23

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA603175

Name:
9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-p-tolylamino-1,9-Show More⌵

Mol. Formula:
C17H19N5O5

M.W.:
373.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
145.78

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA541128

Name:
9-(4-Diethylamino-butyl)-2-phenylamino-1,9-dihydro-purin-6-one dihydrochlorShow More⌵

Mol. Formula:
C19H28Cl2N6O

M.W.:
427.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
79.10

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS