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PUBCHEM-ZINC05997857

 MMsINC code: MMs03481883
Type: Neutral
Formula: C15H30O2
SMILES:   O(CCOC)C1CCCCCCCCCCC1
InChI:   InChI=1/C15H30O2/c1-16-13-14-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,2-14H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.403 g/mol  logS: -4.43828  SlogP: 4.3227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864159  Sterimol/B1: 2.87043  Sterimol/B2: 3.66028  Sterimol/B3: 4.32229
  Sterimol/B4: 5.76561  Sterimol/L: 14.6826 
 
 Surface and Volume Properties
  Accessible surface: 511.677  Positive charged surface: 425.362  Negative charged surface: 86.3151  Volume: 276.625
  Hydrophobic surface: 499.474  Hydrophilic surface: 12.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.