Compounds

ALA249474

Name:
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-(undec-10-enyloxy)-tetrahydro-2H-pyran-2,Show More⌵

Mol. Formula:
C17H32O6

M.W.:
332.44

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA399874

Name:
(2R,3R,4R,5S)-2-((R)-1,2-dihydroxyethyl)-5-(undec-10-enyloxy)-tetrahydrofurShow More⌵

Mol. Formula:
C17H32O6

M.W.:
332.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA249119

Name:
(2R,3R,4R,5R)-2-((R)-1,2-dihydroxyethyl)-5-(undec-10-enyloxy)-tetrahydrofurShow More⌵

Mol. Formula:
C17H32O6

M.W.:
332.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA248915

Name:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(undec-10-enyloxy)-tetrahydro-2H-pyranShow More⌵

Mol. Formula:
C17H32O6

M.W.:
332.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA250943

Name:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(undec-10-enyloxy)-tetrahydro-2H-pyranShow More⌵

Mol. Formula:
C17H32O6

M.W.:
332.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA203509

Name:
(3R,4S,5S,6R)-6-(hydroxymethyl)-4-(20-((3S,4R,5R,6S)-2,3,5-trihydroxy-6-(hyShow More⌵

Mol. Formula:
C32H62O10

M.W.:
606.84

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
180.30

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA204504

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

Mol. Formula:
C15H30O6

M.W.:
306.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.55

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA383424

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

ALA204863

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

ALA383746

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

Mol. Formula:
C17H34O6

M.W.:
334.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA379680

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

Mol. Formula:
C16H32O6

M.W.:
320.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA202999

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

Mol. Formula:
C13H26O6

M.W.:
278.35

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:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA204300

Name:
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(undec-10-enyloxy)-tetrahydro-2H-pyran-2,Show More⌵

Mol. Formula:
C17H32O6

M.W.:
332.44

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA381073

Name:
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(2-(non-8-enyloxy)ethoxy)-tetrahydro-2H-pShow More⌵

Mol. Formula:
C17H32O7

M.W.:
348.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA204038

Name:
(3R,4S,5R,6R)-4-(7-(allyloxy)heptyloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C16H30O7

M.W.:
334.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.04

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA202600

Name:
(3R,4S,5R,6R)-4-(5-(4-butylphenyl)pentyloxy)-6-(hydroxymethyl)-tetrahydro-2Show More⌵

Mol. Formula:
C21H34O6

M.W.:
382.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA203545

Name:
(3R,4S,5R,6R)-4-(dec-9-enyloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-2,3,5Show More⌵

Mol. Formula:
C16H30O6

M.W.:
318.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.72

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA204095

Name:
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(non-8-enyloxy)-tetrahydro-2H-pyran-2,3,5Show More⌵

Mol. Formula:
C15H28O6

M.W.:
304.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA204826

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

Mol. Formula:
C20H40O6

M.W.:
376.53

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA204221

Name:
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(8-phenyloctyloxy)-tetrahydro-2H-pyran-2,Show More⌵

Mol. Formula:
C20H32O6

M.W.:
368.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.44

DETAILS