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PUBCHEM-ZINC05189319

 MMsINC code: MMs03221934
Type: Neutral
Formula: C14H26O
SMILES:   O=C1CCCCCCCCCCCCC1
InChI:   InChI=1/C14H26O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h1-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.7031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.361 g/mol  logS: -4.87509  SlogP: 4.6404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165409  Sterimol/B1: 2.42405  Sterimol/B2: 2.54497  Sterimol/B3: 3.69282
  Sterimol/B4: 8.1674  Sterimol/L: 10.7819 
 
 Surface and Volume Properties
  Accessible surface: 436.078  Positive charged surface: 331.382  Negative charged surface: 104.696  Volume: 246.25
  Hydrophobic surface: 405.475  Hydrophilic surface: 30.603
 
 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.