Compounds

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3a,6,7,7a-Tetrahydro-5-(hydroxymethyl)-2-methyl-(3aR,5R,6S,7R,7aR)-5H-pyrano[3,2-d]thiazole-6,7-diol
Name:
(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydropyrano[3,2Show More⌵
Mol. Formula:
C8H13NO4S
M.W.:
219.26
46 activity values
11 unique targets
Type:
Small molecule
AlogP:
-1.04
Polar Surface Area:
82.28
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA403756
Name:
(3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydropyrano[3,2Show More⌵
Mol. Formula:
C8H13NO4S
M.W.:
219.26
5 activity values
3 unique targets
Type:
Small molecule
AlogP:
-1.04
Polar Surface Area:
82.28
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA404356
Name:
(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2,3a-dimethyl-5,6,7,7a-tetrahydropyranShow More⌵
Mol. Formula:
C9H15NO4S
M.W.:
233.29
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.65
Polar Surface Area:
82.28
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA403748
Name:
(3aR,5R,6R,7R,7aR)-3a-Aminomethyl-5-hydroxymethyl-2-methyl-5,6,7,7a-tetrahyShow More⌵
Mol. Formula:
C11H17F3N2O6S
M.W.:
362.33

Type:
Small molecule
AlogP:
-1.71
Polar Surface Area:
108.30
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA255693
Name:
tert-butyl ((3aR,5R,6R,7R,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6Show More⌵
Mol. Formula:
C14H24N2O6S
M.W.:
348.42
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.15
Polar Surface Area:
120.61
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA404651
Name:
(5R,6R,7R)-5-(hydroxymethyl)-2-methyl-6,7-dihydro-5H-pyrano[3,2-d]thiazole-Show More⌵
Mol. Formula:
C8H11NO4S
M.W.:
217.25
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.40
Polar Surface Area:
82.81
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA253537
Name:
(2S,3R,4S,5R)-2-Acetylamino-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloShow More⌵
Mol. Formula:
C8H17ClN2O4
M.W.:
240.69
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-2.62
Polar Surface Area:
101.82
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE