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PUBCHEM-ZINC05783919

 MMsINC code: MMs03384538
Type: Neutral
Formula: C11H22O5
SMILES:   O(C(=O)C(O)C)CCOCCOCCCC
InChI:   InChI=1/C11H22O5/c1-3-4-5-14-6-7-15-8-9-16-11(13)10(2)12/h10,12H,3-9H2,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=40.412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.292 g/mol  logS: -1.45286  SlogP: 0.7437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0900866  Sterimol/B1: 2.47646  Sterimol/B2: 2.60699  Sterimol/B3: 4.36466
  Sterimol/B4: 6.58429  Sterimol/L: 15.6307 
 
 Surface and Volume Properties
  Accessible surface: 538.153  Positive charged surface: 427.571  Negative charged surface: 110.582  Volume: 242.25
  Hydrophobic surface: 404.105  Hydrophilic surface: 134.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.