Compounds

ALA1689642

Name:
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(octylsulfonyl)tetrahydro-2H-pyran-3,4Show More⌵

Mol. Formula:
C14H28O7S

M.W.:
340.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.44

Polar Surface Area:
124.29

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1689641

Name:
(2R,3S,4S,5S,6R)-2-(hexylsulfonyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4Show More⌵

Mol. Formula:
C12H24O7S

M.W.:
312.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.22

Polar Surface Area:
124.29

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1689640

Name:
(2R,3S,4S,5S,6R)-2-(hexylthio)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-tShow More⌵

Mol. Formula:
C12H24O5S

M.W.:
280.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.10

Polar Surface Area:
90.15

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1689639

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

Mol. Formula:
C14H26O6

M.W.:
290.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1689638

Name:
(2S,3S,4S,5S,6R)-2-(dodecyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-Show More⌵

Mol. Formula:
C18H36O6

M.W.:
348.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.72

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1689637

Name:
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(octyloxy)tetrahydro-2H-pyran-3,4,5-trShow More⌵

Mol. Formula:
C14H28O6

M.W.:
292.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.16

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1689636

Name:
2-Phenylethyl alpha-D-mannopyranosyl sulfone

Mol. Formula:
C14H20O7S

M.W.:
332.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.56

Polar Surface Area:
124.29

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1689635

Name:
Benzyl alpha-D-mannopyranosyl sulfone

Mol. Formula:
C13H18O7S

M.W.:
318.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.60

Polar Surface Area:
124.29

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1689634

Name:
(Rs)-2-phenylethyl alpha-D-mannopyranosyl sulfoxide

Mol. Formula:
C14H20O6S

M.W.:
316.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.22

Polar Surface Area:
113.21

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1689633

Name:
(Rs)-benzyl alpha-D-mannopyranosyl sulfoxide

Mol. Formula:
C13H18O6S

M.W.:
302.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.26

Polar Surface Area:
113.21

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1689632

Name:
2-Phenylethyl 1-thio-alpha-D-mannopyranoside

Mol. Formula:
C14H20O5S

M.W.:
300.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.24

Polar Surface Area:
90.15

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1689631

Name:
Benzyl 1-thio-alpha-D-mannopyranoside

Mol. Formula:
C13H18O5S

M.W.:
286.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.28

Polar Surface Area:
90.15

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1689630

Name:
(2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)tetrahydro-2H-pyranShow More⌵

Mol. Formula:
C13H24O6

M.W.:
276.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.62

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS