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PUBCHEM-ZINC05184943

 MMsINC code: MMs03221405
Type: Neutral
Formula: C14H24O5
SMILES:   O1CCOCCOC(=O)CCCCCCCCC1=O
InChI:   InChI=1/C14H24O5/c15-13-7-5-3-1-2-4-6-8-14(16)19-12-10-17-9-11-18-13/h1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.8302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.341 g/mol  logS: -2.92662  SlogP: 2.2238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099061  Sterimol/B1: 2.38029  Sterimol/B2: 3.7457  Sterimol/B3: 4.87727
  Sterimol/B4: 6.83846  Sterimol/L: 11.7467 
 
 Surface and Volume Properties
  Accessible surface: 500.418  Positive charged surface: 393.595  Negative charged surface: 106.823  Volume: 274.375
  Hydrophobic surface: 420.679  Hydrophilic surface: 79.739
 
 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.