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PUBCHEM-ZINC06031256

 MMsINC code: MMs03503803
Type: Neutral
Formula: C15H28O2
SMILES:   O1C(COC12CCCCCCCCCCC2)C
InChI:   InChI=1/C15H28O2/c1-14-13-16-15(17-14)11-9-7-5-3-2-4-6-8-10-12-15/h14H,2-13H2,1H3/t14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.387 g/mol  logS: -4.97029  SlogP: 4.4227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103887  Sterimol/B1: 3.03465  Sterimol/B2: 3.50943  Sterimol/B3: 4.00387
  Sterimol/B4: 5.87677  Sterimol/L: 13.6197 
 
 Surface and Volume Properties
  Accessible surface: 468.113  Positive charged surface: 376.917  Negative charged surface: 91.1957  Volume: 265.125
  Hydrophobic surface: 433.682  Hydrophilic surface: 34.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.