ALA5272253Name:
(2S,3S,4S)-2-(Hydroxymethyl)-1-methylpyrrolidine-3,4-diolMol. Formula:
C6H13NO3M.W.:
147.17Type:
---AlogP:
-1.99Polar Surface Area:
63.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.40DETAILS
N-Ethyldeoxynojirimycin HClName:
(2R,3R,4R,5S)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triolMol. Formula:
C8H17NO4M.W.:
191.23Type:
UnknownAlogP:
-2.23Polar Surface Area:
84.16HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA5080744Name:
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-propylpiperidine-3,4,5-triolMol. Formula:
C9H19NO4M.W.:
205.25Type:
UnknownAlogP:
-1.84Polar Surface Area:
84.16HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA5029066Name:
(2R,3R,4R,5S)-2-(hydroxymethyl)-2-pentylpiperidine-3,4,5-triolMol. Formula:
C11H23NO4M.W.:
233.31Type:
UnknownAlogP:
-1.02Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA5028265Name:
(2R,3R,4R,5S)-2-hexyl-2-(hydroxymethyl)piperidine-3,4,5-triolMol. Formula:
C12H25NO4M.W.:
247.33Type:
UnknownAlogP:
-0.63Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS- ALA5028138
Name:
(2R,3R,4R,5S)-2-(hydroxymethyl)-2-propylpiperidine-3,4,5-triolMol. Formula:
C9H19NO4M.W.:
205.25Type:
UnknownAlogP:
-1.80Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA5028105
Name:
(2S,3R,4R,5S)-2-heptyl-2-(hydroxymethyl)piperidine-3,4,5-triolMol. Formula:
C13H27NO4M.W.:
261.36Type:
UnknownAlogP:
-0.24Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA5028084
Name:
(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triolMol. Formula:
C8H17NO4M.W.:
191.23Type:
UnknownAlogP:
-2.19Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA5028072
Name:
(2R,3R,4R,5S)-2-(hydroxymethyl)-2-methylpiperidine-3,4,5-triolMol. Formula:
C7H15NO4M.W.:
177.20Type:
UnknownAlogP:
-2.58Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA5028005
Name:
(2R,3R,4R,5S)-2-heptyl-2-(hydroxymethyl)piperidine-3,4,5-triolMol. Formula:
C13H27NO4M.W.:
261.36Type:
UnknownAlogP:
-0.24Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA5027974
Name:
(2R,3R,4R,5S)-2-butyl-2-(hydroxymethyl)piperidine-3,4,5-triolMol. Formula:
C10H21NO4M.W.:
219.28Type:
UnknownAlogP:
-1.41Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
5.13Polar Surface Area:
107.71HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
5.04Polar Surface Area:
98.48HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.34Polar Surface Area:
98.48HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
6.03Polar Surface Area:
98.48HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
98.48HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
4.74Polar Surface Area:
107.71HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
5.38Polar Surface Area:
98.48HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
5.04Polar Surface Area:
98.48HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.13Polar Surface Area:
107.71HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.25DETAILS
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