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PUBCHEM-ZINC06037512

 MMsINC code: MMs03507556
Type: Neutral
Formula: C15H28O2
SMILES:   O1C(CCCCCCCCCCCCC1=O)C
InChI:   InChI=1/C15H28O2/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(16)17-14/h14H,2-13H2,1H3/t14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.0877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.387 g/mol  logS: -5.08375  SlogP: 4.6129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15819  Sterimol/B1: 2.15986  Sterimol/B2: 4.15118  Sterimol/B3: 4.28098
  Sterimol/B4: 7.00827  Sterimol/L: 11.4422 
 
 Surface and Volume Properties
  Accessible surface: 471.785  Positive charged surface: 348.451  Negative charged surface: 123.334  Volume: 272.625
  Hydrophobic surface: 400.487  Hydrophilic surface: 71.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.