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PUBCHEM-ZINC05308465

 MMsINC code: MMs03236322
Type: Neutral
Formula: C14H30O
SMILES:   OCCCC(CCCCC)CCCCC
InChI:   InChI=1/C14H30O/c1-3-5-7-10-14(12-9-13-15)11-8-6-4-2/h14-15H,3-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.9592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.393 g/mol  logS: -5.5844  SlogP: 4.5357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553997  Sterimol/B1: 2.90768  Sterimol/B2: 2.93591  Sterimol/B3: 3.01716
  Sterimol/B4: 9.88829  Sterimol/L: 15.4889 
 
 Surface and Volume Properties
  Accessible surface: 545.345  Positive charged surface: 444.798  Negative charged surface: 100.547  Volume: 264.625
  Hydrophobic surface: 446.323  Hydrophilic surface: 99.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.