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PUBCHEM-ZINC04521338

 MMsINC code: MMs03127755
Type: Neutral
Formula: C13H24O2
SMILES:   OC(=O)C1CCCCCCCCCCC1
InChI:   InChI=1/C13H24O2/c14-13(15)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.333 g/mol  logS: -4.53222  SlogP: 3.9919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.313198  Sterimol/B1: 3.49223  Sterimol/B2: 3.77116  Sterimol/B3: 5.0424
  Sterimol/B4: 5.04851  Sterimol/L: 10.0753 
 
 Surface and Volume Properties
  Accessible surface: 401.279  Positive charged surface: 287.811  Negative charged surface: 113.468  Volume: 229.125
  Hydrophobic surface: 352.181  Hydrophilic surface: 49.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.