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PUBCHEM-ZINC05997804

 MMsINC code: MMs03481827
Type: Neutral
Formula: C13H20O2
SMILES:   O(CCCCCCOC)c1ccccc1
InChI:   InChI=1/C13H20O2/c1-14-11-7-2-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.4704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.301 g/mol  logS: -2.38498  SlogP: 3.2722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152975  Sterimol/B1: 2.37517  Sterimol/B2: 2.37681  Sterimol/B3: 3.77888
  Sterimol/B4: 4.06336  Sterimol/L: 18.3161 
 
 Surface and Volume Properties
  Accessible surface: 498.286  Positive charged surface: 376.83  Negative charged surface: 121.456  Volume: 233.625
  Hydrophobic surface: 482.638  Hydrophilic surface: 15.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.