Compounds

Type:
Small molecule

AlogP:
-3.21

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3798866

Name:
Allyl 4-O-methyl-alpha-D-mannopyranoside

Mol. Formula:
C10H18O6

M.W.:
234.25

2 activity values

Type:
Small molecule

AlogP:
-1.36

Polar Surface Area:
88.38

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3800479

Name:
(2S,3S,4S,5R,6R)-2-(allyloxy)-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyraShow More⌵

Mol. Formula:
C10H18O6

M.W.:
234.25

2 activity values

Type:
Small molecule

AlogP:
-1.36

Polar Surface Area:
88.38

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3797852

Name:
N-((S)-2-hydroxy-2-((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2Show More⌵

Mol. Formula:
C17H27NO8S

M.W.:
405.47

3 activity values

Type:
Small molecule

AlogP:
-1.29

Polar Surface Area:
145.55

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3800386

Name:
N-((S)-2-hydroxy-2-((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2Show More⌵

Mol. Formula:
C15H23NO8S

M.W.:
377.42

Type:
Small molecule

AlogP:
-1.91

Polar Surface Area:
145.55

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3797424

Name:
N-((R)-2-hydroxy-2-((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2Show More⌵

Mol. Formula:
C17H23NO7

M.W.:
353.37

Type:
Small molecule

AlogP:
-1.37

Polar Surface Area:
128.48

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3799366

Name:
N-((R)-2-hydroxy-2-((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2Show More⌵

Mol. Formula:
C15H21NO7

M.W.:
327.33

Type:
Small molecule

AlogP:
-1.77

Polar Surface Area:
128.48

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3797996

Name:
N-((S)-2-hydroxy-2-((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2Show More⌵

Mol. Formula:
C17H23NO7

M.W.:
353.37

Type:
Small molecule

AlogP:
-1.37

Polar Surface Area:
128.48

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3798825

Name:
N-((S)-2-hydroxy-2-((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2Show More⌵

Mol. Formula:
C15H21NO7

M.W.:
327.33

Type:
Small molecule

AlogP:
-1.77

Polar Surface Area:
128.48

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3797336

Name:
N-((S)-2-hydroxy-2-((2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2Show More⌵

Mol. Formula:
C10H19NO7

M.W.:
265.26

Type:
Small molecule

AlogP:
-3.06

Polar Surface Area:
128.48

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3798572

Name:
(2R,3S,4S,5S,6S)-2-(aminomethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol

Mol. Formula:
C7H15NO5

M.W.:
193.20

Type:
Small molecule

AlogP:
-2.60

Polar Surface Area:
105.17

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3800630

Name:
Methyl 6-deoxy-6-iodo-alpha-D-mannopyranoside

Mol. Formula:
C7H13IO5

M.W.:
304.08

Type:
Small molecule

AlogP:
-1.12

Polar Surface Area:
79.15

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3800280

Name:
Methyl 6-bromo-6-deoxy-alpha-D-mannopyranoside

Mol. Formula:
C7H13BrO5

M.W.:
257.08

Type:
Small molecule

AlogP:
-1.16

Polar Surface Area:
79.15

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3800531

Name:
Methyl 6-chloro-6-deoxy-alpha-D-mannopyranoside

Mol. Formula:
C7H13ClO5

M.W.:
212.63

Type:
Small molecule

AlogP:
-1.32

Polar Surface Area:
79.15

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

4-Methylumbelliferyl β-D-mannopyranoside

Name:
4-methylumbelliferyl beta-D-mannoside

Mol. Formula:
C16H18O8

M.W.:
338.31

Type:
Small molecule

AlogP:
-0.72

Polar Surface Area:
129.59

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

Allyl α-D-mannopyranoside

Name:
Allyl alpha-D-mannopyranoside

Mol. Formula:
C9H16O6

M.W.:
220.22

Type:
Small molecule

AlogP:
-2.01

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

1,5-Anhydro-D-mannitol

Name:
(2R,3S,4R,5R)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Mol. Formula:
C6H12O5

M.W.:
164.16

Type:
Small molecule

AlogP:
-2.54

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3800313

Name:
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methyltetrahydro-2H-pyran-3,4,5-triol

Mol. Formula:
C7H14O5

M.W.:
178.18

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.15

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3798822

Name:
(2R,3S,4S,5S,6S)-2,6-dimethyltetrahydro-2H-pyran-3,4,5-triol

Mol. Formula:
C7H14O4

M.W.:
162.18

2 activity values

Type:
Small molecule

AlogP:
-1.12

Polar Surface Area:
69.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

Methyl b-L-fucopyranoside

Name:
methyl beta-L-fucoside

Mol. Formula:
C7H14O5

M.W.:
178.18