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PUBCHEM-ZINC02562373

 MMsINC code: MMs02901535
Type: Neutral
Formula: C8H14O4
SMILES:   O(C(=O)C)CCCC(OCC)=O
InChI:   InChI=1/C8H14O4/c1-3-11-8(10)5-4-6-12-7(2)9/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.3709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.196 g/mol  logS: -0.82514  SlogP: 0.8928  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0242158  Sterimol/B1: 2.37512  Sterimol/B2: 2.37517  Sterimol/B3: 2.98245
  Sterimol/B4: 3.48459  Sterimol/L: 15.4403 
 
 Surface and Volume Properties
  Accessible surface: 418.595  Positive charged surface: 297.897  Negative charged surface: 120.698  Volume: 173.5
  Hydrophobic surface: 305.629  Hydrophilic surface: 112.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.