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NCID-ZINC01631035

 MMsINC code: MMs02276083
Type: Neutral
Formula: C5H11NO5
SMILES:   OC(C(O)C(=O)N)C(O)CO
InChI:   InChI=1/C5H11NO5/c6-5(11)4(10)3(9)2(8)1-7/h2-4,7-10H,1H2,(H2,6,11)/t2-,3-,4+/m1/s1

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Potential Energy
Epot(MMFF94)=51.5798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.145 g/mol  logS: 0.94106  SlogP: -3.4533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16807  Sterimol/B1: 2.6833  Sterimol/B2: 2.93871  Sterimol/B3: 3.78398
  Sterimol/B4: 3.9014  Sterimol/L: 10.843 
 
 Surface and Volume Properties
  Accessible surface: 330.688  Positive charged surface: 220.391  Negative charged surface: 110.297  Volume: 139.125
  Hydrophobic surface: 70.1385  Hydrophilic surface: 260.5495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.