ALA225713Name:
(2R,3S)-2-hydroxy-3-vinylsuccinic acidCas Number:
246233-05-6Mol. Formula:
C6H8O5M.W.:
160.12Type:
Small moleculeAlogP:
-0.68Polar Surface Area:
94.83HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
0.71Polar Surface Area:
94.83HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA376564Name:
(2R,3S)-2-hydroxy-3-isopropylsuccinic acidCas Number:
126576-14-5Mol. Formula:
C7H12O5M.W.:
176.17Type:
Small moleculeAlogP:
-0.21Polar Surface Area:
94.83HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
-0.07Polar Surface Area:
94.83HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
-1.09Polar Surface Area:
115.06HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS-
Type:
Small moleculeAlogP:
-1.48Polar Surface Area:
115.06HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
-0.22Polar Surface Area:
132.13HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
-0.61Polar Surface Area:
132.13HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA390356
Name:
(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acidCas Number:
18979-21-0Mol. Formula:
C6H8O7M.W.:
192.12Type:
Small moleculeAlogP:
-1.39Polar Surface Area:
132.13HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
-1.00Polar Surface Area:
132.13HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS
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