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PUBCHEM-ZINC05761818

 MMsINC code: MMs03375158
Type: Neutral
Formula: C14H24O
SMILES:   OCCCCCCCCC#C\C=C\CC
InChI:   InChI=1/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,15H,2,7-14H2,1H3/b4-3+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.9712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -4.94478  SlogP: 3.67901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173681  Sterimol/B1: 2.42615  Sterimol/B2: 3.02824  Sterimol/B3: 3.56758
  Sterimol/B4: 3.59431  Sterimol/L: 21.2677 
 
 Surface and Volume Properties
  Accessible surface: 561.017  Positive charged surface: 418.723  Negative charged surface: 142.294  Volume: 254
  Hydrophobic surface: 458.386  Hydrophilic surface: 102.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.