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NCID-ZINC01695492

 MMsINC code: MMs02326462
Type: Neutral
Formula: C13H20O2
SMILES:   O(CCCCCC)c1ccccc1CO
InChI:   InChI=1/C13H20O2/c1-2-3-4-7-10-15-13-9-6-5-8-12(13)11-14/h5-6,8-9,14H,2-4,7,10-11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.7912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.301 g/mol  logS: -3.28092  SlogP: 3.4044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201511  Sterimol/B1: 2.3776  Sterimol/B2: 2.38032  Sterimol/B3: 4.41018
  Sterimol/B4: 5.23195  Sterimol/L: 15.8895 
 
 Surface and Volume Properties
  Accessible surface: 484.592  Positive charged surface: 359.227  Negative charged surface: 125.365  Volume: 231.125
  Hydrophobic surface: 404.678  Hydrophilic surface: 79.914
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.