Compounds

Type:
Small molecule

AlogP:
-2.54

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3349653

Name:
2,2,2-Trifluoro-N-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-Show More⌵

Mol. Formula:
C8H12F3NO6

M.W.:
275.18

Type:
Small molecule

AlogP:
-2.54

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3085401

Name:
(2S,3R,4S,5S,6R)-6-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloShow More⌵

Mol. Formula:
C12H22O11

M.W.:
342.30

Type:
Small molecule

AlogP:
-5.40

Polar Surface Area:
189.53

HBA:
11

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1161041

Name:
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylmethyl-ammonium

Mol. Formula:
C7H15NO5

M.W.:
193.20

Type:
Small molecule

AlogP:
-3.21

Polar Surface Area:
116.17

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1161039

Name:
2-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-ethyl-ammonium

Mol. Formula:
C8H17NO5

M.W.:
207.23

Type:
Small molecule

AlogP:
-2.82

Polar Surface Area:
116.17

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1161038

Name:
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylmethyl-ammonium

Mol. Formula:
C7H15NO5

M.W.:
193.20

Type:
Small molecule

AlogP:
-3.21

Polar Surface Area:
116.17

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1160830

Name:
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-methyShow More⌵

Mol. Formula:
C8H16N2O6

M.W.:
236.22

Type:
Small molecule

AlogP:
-4.14

Polar Surface Area:
145.27

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1160829

Name:
(S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid aniShow More⌵

Mol. Formula:
C7H12O7

M.W.:
208.17

Type:
Small molecule

AlogP:
-3.09

Polar Surface Area:
127.45

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1160828

Name:
(S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylmethyl-ammonium

Mol. Formula:
C7H15NO5

M.W.:
193.20

Type:
Small molecule

AlogP:
-3.21

Polar Surface Area:
116.17

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1160827

Name:
(R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylmethyl-ammonium

Mol. Formula:
C7H15NO5

M.W.:
193.20

Type:
Small molecule

AlogP:
-3.21

Polar Surface Area:
116.17

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1160826

Name:
2-((S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-ethyl-ammoniShow More⌵

Mol. Formula:
C8H17NO5

M.W.:
207.23

Type:
Small molecule

AlogP:
-2.82

Polar Surface Area:
116.17

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1159476

Name:
6-Mercaptomethyl-tetrahydro-pyran-2,3,4,5-tetraol

Mol. Formula:
C6H12O5S

M.W.:
196.22

Type:
Small molecule

AlogP:
-2.28

Polar Surface Area:
90.15

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-2-hydroxymethyl-7,9-diaza-1-oxa-spiro[4,5]decane-10-one-8-thione

Name:
8,9,10-Trihydroxy-7-hydroxymethyl-2-thioxo-6-oxa-1,3-diaza-spiro[4.5]decan-Show More⌵

Mol. Formula:
C8H12N2O6S

M.W.:
264.26

14 activity values

6 unique targets

Type:
Small molecule

AlogP:
-3.84

Polar Surface Area:
131.28

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

Methyl a-D-galactopyranoside

Name:
2-Hydroxymethyl-6-methoxy-tetrahydro-pyran-3,4,5-triol

Mol. Formula:
C7H14O6

M.W.:
194.18

20 activity values

10 unique targets

Type:
Small molecule

AlogP:
-2.57

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA132199

Name:
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid (2,2,2-Show More⌵

Mol. Formula:
C9H14F3NO6

M.W.:
289.21

Type:
Small molecule

AlogP:
-2.49

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA335273

Name:
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid cycloprShow More⌵

Mol. Formula:
C10H17NO6

M.W.:
247.25

Type:
Small molecule

AlogP:
-2.89

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA337281

Name:
2-Hydroxymethyl-6-(1H-indol-2-yloxy)-tetrahydro-pyran-3,4,5-triol

Mol. Formula:
C14H17NO6

M.W.:
295.29

4 activity values

Type:
Small molecule

AlogP:
-0.65

Polar Surface Area:
115.17

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA334969

Name:
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid phenylaShow More⌵

Mol. Formula:
C13H17NO6

M.W.:
283.28