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PUBCHEM-ZINC05188839

 MMsINC code: MMs03221882
Type: Neutral
Formula: C16H26O6
SMILES:   O(C(=O)C(O)C(O)C(OC1CCCCC1)=O)C1CCCCC1
InChI:   InChI=1/C16H26O6/c17-13(15(19)21-11-7-3-1-4-8-11)14(18)16(20)22-12-9-5-2-6-10-12/h11-14,17-18H,1-10H2/t13-,14+

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Potential Energy
Epot(MMFF94)=48.5171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.378 g/mol  logS: -2.94408  SlogP: 1.46  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0317102  Sterimol/B1: 2.85878  Sterimol/B2: 3.34695  Sterimol/B3: 3.53406
  Sterimol/B4: 3.75827  Sterimol/L: 18.8149 
 
 Surface and Volume Properties
  Accessible surface: 577.494  Positive charged surface: 430.973  Negative charged surface: 146.521  Volume: 305.125
  Hydrophobic surface: 454.562  Hydrophilic surface: 122.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.