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PUBCHEM-ZINC06031977

 MMsINC code: MMs03504651
Type: Neutral
Formula: C5H10O4
SMILES:   O(C(=O)C(O)(CO)C)C
InChI:   InChI=1/C5H10O4/c1-5(8,3-6)4(7)9-2/h6,8H,3H2,1-2H3/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=37.2593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.131 g/mol  logS: 0.07916  SlogP: -1.0973  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165118  Sterimol/B1: 2.18629  Sterimol/B2: 2.89966  Sterimol/B3: 3.61246
  Sterimol/B4: 4.90112  Sterimol/L: 10.3528 
 
 Surface and Volume Properties
  Accessible surface: 315.466  Positive charged surface: 237.698  Negative charged surface: 77.7679  Volume: 125.5
  Hydrophobic surface: 177.486  Hydrophilic surface: 137.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.