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PUBCHEM-ZINC02569627

 MMsINC code: MMs02902509
Type: Neutral
Formula: C14H26O
SMILES:   O=CCCCCCCCCC\C=C\CC
InChI:   InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,14H,2,5-13H2,1H3/b4-3+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.15523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.361 g/mol  logS: -4.96222  SlogP: 4.6624  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0264768  Sterimol/B1: 2.18747  Sterimol/B2: 2.56137  Sterimol/B3: 3.44984
  Sterimol/B4: 5.26681  Sterimol/L: 20.0356 
 
 Surface and Volume Properties
  Accessible surface: 546.77  Positive charged surface: 419.272  Negative charged surface: 127.498  Volume: 257.625
  Hydrophobic surface: 439.661  Hydrophilic surface: 107.109
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.