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PUBCHEM-ZINC05631175

 MMsINC code: MMs03329233
Type: Neutral
Formula: C14H26O
SMILES:   O=CCCCCCCCCCCCC=C
InChI:   InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,14H,1,3-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.53904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.361 g/mol  logS: -5.14704  SlogP: 4.6624  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0224864  Sterimol/B1: 2.23934  Sterimol/B2: 2.44127  Sterimol/B3: 2.82367
  Sterimol/B4: 3.27629  Sterimol/L: 20.8576 
 
 Surface and Volume Properties
  Accessible surface: 549.994  Positive charged surface: 418.889  Negative charged surface: 131.104  Volume: 259.125
  Hydrophobic surface: 433.918  Hydrophilic surface: 116.076
 
 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.