Compounds

Type:
Small molecule

AlogP:
-1.25

Polar Surface Area:
187.40

HBA:
11

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2303731

Name:
N-[2-(3,5-Dihydroxy-2-hydroxymethyl-6-methoxy-tetrahydro-pyran-4-yloxy)-4,5Show More⌵

Mol. Formula:
C15H27NO10S

M.W.:
413.45

Type:
Small molecule

AlogP:
-3.66

Polar Surface Area:
167.17

HBA:
11

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2303730

Name:
2-(6-Bromo-naphthalen-2-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Mol. Formula:
C16H17BrO6

M.W.:
385.21

Type:
Small molecule

AlogP:
0.78

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2070378

Name:
(((2R,3S,4R,5R)-5-(5-(5-formylthiophen-2-yl)-2,4-dioxo-3,4-dihydropyrimidinShow More⌵

Mol. Formula:
C22H30N2O17P2S

M.W.:
688.49

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.75

Polar Surface Area:
304.83

HBA:
17

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

Benzyl 2-Acetamido-2-deoxy-β-D-glucopyranoside

Name:
N-((2R,3R,4R,6R)-2-Benzyloxy-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyranShow More⌵

Mol. Formula:
C15H21NO6

M.W.:
311.33

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
-0.85

Polar Surface Area:
108.25

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA605663

Name:
[Hydroxy-(3,4,5,6-tetrahydroxy-tetrahydro-pyran-2-yloxy)-phosphorylmethyl]-Show More⌵

Mol. Formula:
C15H24N2O16P2

M.W.:
550.30

Type:
Small molecule

AlogP:
-4.73

Polar Surface Area:
287.76

HBA:
15

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA606075

Name:
uridine phosphate derivative

Mol. Formula:
C16H24N2O15P2

M.W.:
546.32

Type:
Small molecule

AlogP:
-3.53

Polar Surface Area:
267.53

HBA:
14

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA605030

Name:
uridine phosphate derivative

Mol. Formula:
C14H22N2O16P2

M.W.:
536.28

Type:
Small molecule

AlogP:
-4.77

Polar Surface Area:
287.76

HBA:
15

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA421442

Name:
N-((2R,3R,4S,5S,6S)-5-Acetylamino-2-benzyloxy-4-hydroxy-6-hydroxymethyl-tetShow More⌵

Mol. Formula:
C17H24N2O6

M.W.:
352.39

Type:
Small molecule

AlogP:
-0.71

Polar Surface Area:
117.12

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA340506

Name:
N-((2S,3S,4R,5R,6R)-5-Amino-6-benzyloxy-4-hydroxy-2-hydroxymethyl-tetrahydrShow More⌵

Mol. Formula:
C15H22N2O5

M.W.:
310.35

1 activity values

Type:
Small molecule

AlogP:
-0.89

Polar Surface Area:
114.04

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA339864

Name:
N-((2S,3S,4S,5R,6R)-5-Azido-6-benzyloxy-4-hydroxy-2-hydroxymethyl-tetrahydrShow More⌵

Mol. Formula:
C15H20N4O5

M.W.:
336.35

1 activity values

Type:
Small molecule

AlogP:
0.46

Polar Surface Area:
136.78

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA125848

Name:
N-((2R,3R,4S,5S,6S)-5-Amino-2-benzyloxy-4-hydroxy-6-hydroxymethyl-tetrahydrShow More⌵

Mol. Formula:
C15H22N2O5

M.W.:
310.35

Type:
Small molecule

AlogP:
-0.89

Polar Surface Area:
114.04

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA126496

Name:
N-((2R,3R,4R,5S,6S)-5-Azido-2-benzyloxy-4-hydroxy-6-hydroxymethyl-tetrahydrShow More⌵

Mol. Formula:
C15H20N4O5

M.W.:
336.35

1 activity values

Type:
Small molecule

AlogP:
0.46

Polar Surface Area:
136.78

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA112585

Name:
6-(3-Acetylamino-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-heShow More⌵

Mol. Formula:
C15H27NO8

M.W.:
349.38

Type:
Small molecule

AlogP:
-1.32

Polar Surface Area:
134.55

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA111972

Name:
N-[2-(6-Bromo-naphthalen-2-yloxy)-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-Show More⌵

Mol. Formula:
C18H20BrNO6

M.W.:
426.26

Type:
Small molecule

AlogP:
0.92

Polar Surface Area:
108.25

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA112241

Name:
N-[4,5-Dihydroxy-6-hydroxymethyl-2-(naphthalen-2-yloxy)-tetrahydro-pyran-3-Show More⌵

Mol. Formula:
C18H21NO6

M.W.:
347.37

Type:
Small molecule

AlogP:
0.16

Polar Surface Area:
108.25

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA114323

Name:
N-[4,5-Dihydroxy-6-hydroxymethyl-2-(naphthalen-1-yloxy)-tetrahydro-pyran-3-Show More⌵

Mol. Formula:
C18H21NO6

M.W.:
347.37

Type:
Small molecule

AlogP:
0.16

Polar Surface Area:
108.25

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA112372

Name:
N-(4,5-Dihydroxy-6-hydroxymethyl-2-phenoxy-tetrahydro-pyran-3-yl)-acetamide

Mol. Formula:
C14H19NO6

M.W.:
297.31

Type:
Small molecule

AlogP:
-0.99

Polar Surface Area:
108.25

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA320104

Name:
N-[4,5-Dihydroxy-6-hydroxymethyl-2-(6-methoxy-naphthalen-2-yloxy)-tetrahydrShow More⌵

Mol. Formula:
C19H23NO7

M.W.:
377.39