ALA4529797Name:
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)azepane-3,4,5,6-tetraolMol. Formula:
C7H15NO5M.W.:
193.20Type:
UnknownAlogP:
-3.61Polar Surface Area:
113.18HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
Small moleculeAlogP:
-0.35Polar Surface Area:
92.43HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA4214083Name:
(2S,3S,4R)-2-[(1-benzyl)-1H-1,2,3-triazol-4-yl]-pyrrolidine-3,4-diolMol. Formula:
C13H16N4O2M.W.:
260.30Type:
Small moleculeAlogP:
-0.31Polar Surface Area:
83.20HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA4211283Name:
(2S,3S,4R)-2-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)pyrrolidine-3,4-diolMol. Formula:
C13H16N4O2M.W.:
260.30Type:
Small moleculeAlogP:
-0.36Polar Surface Area:
83.20HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS-
Type:
Small moleculeAlogP:
-0.87Polar Surface Area:
103.43HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4206239
Name:
(2R,3S,4R)-2-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)pyrrolidine-3,4-diolMol. Formula:
C13H16N4O2M.W.:
260.30Type:
Small moleculeAlogP:
-0.36Polar Surface Area:
83.20HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
0.80Polar Surface Area:
92.43HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4202949
Name:
(2R,3R,4S)-2-(1-benzyl-1H-1,2,3-triazol-4-yl)pyrrolidine-3,4-diolMol. Formula:
C13H16N4O2M.W.:
260.30Type:
Small moleculeAlogP:
-0.31Polar Surface Area:
83.20HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA3133413
Name:
(5S,7S,8R)-1-Aza-7-hydroxy-8-hydroxymethyl-3-oxabicyclo-[3.3.0]octan-2-oneMol. Formula:
C7H11NO4M.W.:
173.17Type:
Small moleculeAlogP:
-1.07Polar Surface Area:
70.00HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
-2.97Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
-2.75Polar Surface Area:
120.86HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
-1.74Polar Surface Area:
183.49HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.09DETAILS - ALA1171694
Name:
1-N-(Biotinyl)-amino-1,2,5-trideoxy-2,5-imino-D-mannitolMol. Formula:
C16H28N4O5SM.W.:
388.49Type:
Small moleculeAlogP:
-2.12Polar Surface Area:
142.95HBA:
7HBD:
7#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.19DETAILS
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