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PUBCHEM-ZINC02031458

 MMsINC code: MMs02858954
Type: Neutral
Formula: C6H10O5
SMILES:   O(C(=O)C(O)CC(OC)=O)C
InChI:   InChI=1/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=21.7073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: -0.08626  SlogP: -0.9166  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0541622  Sterimol/B1: 2.764  Sterimol/B2: 2.87032  Sterimol/B3: 3.03282
  Sterimol/B4: 4.44236  Sterimol/L: 12.3035 
 
 Surface and Volume Properties
  Accessible surface: 357.032  Positive charged surface: 273.95  Negative charged surface: 83.0821  Volume: 145.5
  Hydrophobic surface: 235.73  Hydrophilic surface: 121.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.