Compounds

PugNAc

Name:
PUGNAc

Mol. Formula:
C15H19N3O7

M.W.:
353.33

11 activity values

7 unique targets

Type:
Small molecule

AlogP:
-0.83

Polar Surface Area:
149.71

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA402605

Name:
N-((3R,4R,5S,6R,Z)-4,5-dihydroxy-2-(hydroxyimino)-6-(hydroxymethyl)-tetrahyShow More⌵

Mol. Formula:
C8H14N2O6

M.W.:
234.21

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
-2.61

Polar Surface Area:
131.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA255476

Name:
[(2Z,3R,4R,5S,6R)-3-butanamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidenShow More⌵

Mol. Formula:
C17H23N3O7

M.W.:
381.39

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.05

Polar Surface Area:
149.71

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA438165

Name:
[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-propanamidooxan-2-ylideShow More⌵

Mol. Formula:
C16H21N3O7

M.W.:
367.36

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.44

Polar Surface Area:
149.71

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA256732

Name:
[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-pentanamidooxan-2-ylideShow More⌵

Mol. Formula:
C18H25N3O7

M.W.:
395.41

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.34

Polar Surface Area:
149.71

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA404135

Name:
[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-methylpropanamido)oxShow More⌵

Mol. Formula:
C17H23N3O7

M.W.:
381.39

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.20

Polar Surface Area:
149.71

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA254584

Name:
[(2Z,3R,4R,5S,6R)-3-hexanamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidenShow More⌵

Mol. Formula:
C19H27N3O7

M.W.:
409.44

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
149.71

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA254583

Name:
O-(2-Deoxy-2-N-2-ethylbutyryl-D-glucopyranosylidene)aminoN-Phenylcarbamate

Mol. Formula:
C19H27N3O7

M.W.:
409.44

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
149.71

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA429310

Name:
[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbutanamido)oxaShow More⌵

Mol. Formula:
C18H25N3O7

M.W.:
395.41

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.19

Polar Surface Area:
149.71

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS