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IBS-ZINC04090836

 MMsINC code: MMs01880698
Type: Neutral
Formula: C14H24O
SMILES:   O=CC=C1CCCCCCCCCCC1
InChI:   InChI=1/C14H24O/c15-13-12-14-10-8-6-4-2-1-3-5-7-9-11-14/h12-13H,1-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.3925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -5.31506  SlogP: 4.4164  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.253532  Sterimol/B1: 3.33503  Sterimol/B2: 4.06874  Sterimol/B3: 4.23191
  Sterimol/B4: 5.98661  Sterimol/L: 11.1381 
 
 Surface and Volume Properties
  Accessible surface: 423.075  Positive charged surface: 298.46  Negative charged surface: 124.615  Volume: 239.5
  Hydrophobic surface: 360.969  Hydrophilic surface: 62.106
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.