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PUBCHEM-ZINC02031599

 MMsINC code: MMs02858959
Type: Neutral
Formula: C7H14O4
SMILES:   O(C(=O)C)CCOCCOC
InChI:   InChI=1/C7H14O4/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.6264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.185 g/mol  logS: -0.29135  SlogP: 0.2125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906919  Sterimol/B1: 2.29854  Sterimol/B2: 2.59778  Sterimol/B3: 3.73185
  Sterimol/B4: 5.59029  Sterimol/L: 12.8565 
 
 Surface and Volume Properties
  Accessible surface: 408.31  Positive charged surface: 335.882  Negative charged surface: 72.429  Volume: 165.25
  Hydrophobic surface: 349.837  Hydrophilic surface: 58.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.