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PUBCHEM-ZINC04521586

 MMsINC code: MMs03127842
Type: Neutral
Formula: C13H26O7
SMILES:   O1CCOCCOCCOCCOCCOCC1CO
InChI:   InChI=1/C13H26O7/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13-14H,1-12H2/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=137.785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.344 g/mol  logS: -0.39268  SlogP: -0.5395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132381  Sterimol/B1: 3.01538  Sterimol/B2: 3.82019  Sterimol/B3: 5.57315
  Sterimol/B4: 6.57708  Sterimol/L: 12.4019 
 
 Surface and Volume Properties
  Accessible surface: 524.237  Positive charged surface: 503.067  Negative charged surface: 21.1693  Volume: 286.25
  Hydrophobic surface: 479.007  Hydrophilic surface: 45.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.