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PUBCHEM-ZINC05283031

 MMsINC code: MMs03231471
Type: Neutral
Formula: C14H26O
SMILES:   OC1(CCCCCCCCCCC1)C=C
InChI:   InChI=1/C14H26O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h2,15H,1,3-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.361 g/mol  logS: -4.44669  SlogP: 4.2082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.30792  Sterimol/B1: 2.4999  Sterimol/B2: 4.81344  Sterimol/B3: 5.25793
  Sterimol/B4: 5.41767  Sterimol/L: 10.5328 
 
 Surface and Volume Properties
  Accessible surface: 421.135  Positive charged surface: 306.112  Negative charged surface: 115.023  Volume: 244
  Hydrophobic surface: 359.981  Hydrophilic surface: 61.154
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.