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PUBCHEM-ZINC05835665

 MMsINC code: MMs03407873
Type: Neutral
Formula: C15H30O
SMILES:   O(CCC)C1CCCCCCCCCCC1
InChI:   InChI=1/C15H30O/c1-2-14-16-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.6016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.404 g/mol  logS: -4.82462  SlogP: 5.0863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119406  Sterimol/B1: 2.46243  Sterimol/B2: 4.54303  Sterimol/B3: 4.72744
  Sterimol/B4: 5.25416  Sterimol/L: 14.3927 
 
 Surface and Volume Properties
  Accessible surface: 489.688  Positive charged surface: 382.18  Negative charged surface: 107.508  Volume: 271.875
  Hydrophobic surface: 463.904  Hydrophilic surface: 25.784
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.