Compounds

ALA4217094

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

Mol. Formula:
C17H32O6

M.W.:
332.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4215487

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

Mol. Formula:
C15H28O6

M.W.:
304.38

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4214779

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

Mol. Formula:
C17H32O6

M.W.:
332.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

Allyl b-galactopyranoside

Name:
Allyl-beta-D-galactopyranoside

Mol. Formula:
C9H16O6

M.W.:
220.22

2 activity values

1 unique targets

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

Allyl b-D-glucopyranoside

Name:
Allyl-beta-D-glucopyranoside

Mol. Formula:
C9H16O6

M.W.:
220.22

3 activity values

1 unique targets

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

ALA4213417

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

Mol. Formula:
C14H26O6

M.W.:
290.36

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.06

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4212926

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

Mol. Formula:
C14H26O6

M.W.:
290.36

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.06

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4212197

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

Mol. Formula:
C15H28O6

M.W.:
304.38

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4212177

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

Mol. Formula:
C17H32O6

M.W.:
332.44

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4209246

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

Mol. Formula:
C13H24O6

M.W.:
276.33

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.45

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4205643

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

Mol. Formula:
C13H24O6

M.W.:
276.33

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.45

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4205379

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

Mol. Formula:
C15H28O6

M.W.:
304.38

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4204879

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

Mol. Formula:
C15H28O6

M.W.:
304.38

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4203726

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

Mol. Formula:
C17H32O6

M.W.:
332.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS