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PUBCHEM-ZINC05134290

 MMsINC code: MMs03209243
Type: Neutral
Formula: C14H28O7
SMILES:   O1CCOCCOCCOCCOCCOCCOCC1
InChI:   InChI=1/C14H28O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15-1/h1-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.371 g/mol  logS: -0.73786  SlogP: 0.1162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680094  Sterimol/B1: 2.6443  Sterimol/B2: 3.22606  Sterimol/B3: 6.3688
  Sterimol/B4: 6.86642  Sterimol/L: 13.496 
 
 Surface and Volume Properties
  Accessible surface: 610.519  Positive charged surface: 577.214  Negative charged surface: 33.3053  Volume: 307.5
  Hydrophobic surface: 577.214  Hydrophilic surface: 33.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.