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PUBCHEM-ZINC05189322

 MMsINC code: MMs03221935
Type: Neutral
Formula: C14H26O2
SMILES:   O1CCCCCCCCCCCCCC1=O
InChI:   InChI=1/C14H26O2/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-14/h1-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.8332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.36 g/mol  logS: -4.75654  SlogP: 4.2244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132884  Sterimol/B1: 2.37712  Sterimol/B2: 2.45971  Sterimol/B3: 3.65202
  Sterimol/B4: 7.68733  Sterimol/L: 11.3744 
 
 Surface and Volume Properties
  Accessible surface: 449.923  Positive charged surface: 350.679  Negative charged surface: 99.2447  Volume: 255.25
  Hydrophobic surface: 413.414  Hydrophilic surface: 36.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.