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PUBCHEM-ZINC06030841

 MMsINC code: MMs03503347
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.7261 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: 0.196859  Sterimol/B1: 2.04174  Sterimol/B2: 2.98579  Sterimol/B3: 4.77454
  Sterimol/B4: 7.92119  Sterimol/L: 11.2235 
 
 Surface and Volume Properties
  Accessible surface: 462.515  Positive charged surface: 344.405  Negative charged surface: 118.111  Volume: 271
  Hydrophobic surface: 387.663  Hydrophilic surface: 74.852
 
 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.