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PUBCHEM-ZINC05189293

 MMsINC code: MMs03221930
Type: Neutral
Formula: C15H26O
SMILES:   O=C1CCCCCCCCCC\C=C\CC1
InChI:   InChI=1/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h7,9H,1-6,8,10-14H2/b9-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.2017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.372 g/mol  logS: -4.22599  SlogP: 4.8065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140099  Sterimol/B1: 2.53675  Sterimol/B2: 2.54347  Sterimol/B3: 3.45104
  Sterimol/B4: 8.9727  Sterimol/L: 11.3497 
 
 Surface and Volume Properties
  Accessible surface: 451.783  Positive charged surface: 360.05  Negative charged surface: 91.7333  Volume: 258.875
  Hydrophobic surface: 427.212  Hydrophilic surface: 24.571
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.