Type:
Small moleculeAlogP:
-1.94Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
Small moleculeAlogP:
-2.97Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
Small moleculeAlogP:
-2.48Polar Surface Area:
84.16HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.34DETAILS
ALA469448Name:
(mixed anomer) D-6-Hydroxymethyl-tetrahydro-pyran-2,3,4,5-tetraolMol. Formula:
C6H12O6M.W.:
180.16Type:
Small moleculeAlogP:
-3.22Polar Surface Area:
110.38HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
Small moleculeAlogP:
-1.45Polar Surface Area:
63.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.42DETAILS- ALA324208
Name:
(2R,3R,4S,5R)-5-Ethoxy-2-hydroxymethyl-piperidine-3,4-diolMol. Formula:
C8H17NO4M.W.:
191.23Type:
Small moleculeAlogP:
-1.92Polar Surface Area:
81.95HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA108023
Name:
(2R,3R,4S,5R)-5-Fluoro-2-hydroxymethyl-piperidine-3,4-diolMol. Formula:
C6H12FNO3M.W.:
165.16Type:
Small moleculeAlogP:
-1.99Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
-1.94Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.35DETAILS
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