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PUBCHEM-ZINC05133250

 MMsINC code: MMs03208163
Type: Neutral
Formula: C11H16O8
SMILES:   O1C(CO)C(O)C(O)C(O)C1OCC1=CC(OC1)=O
InChI:   InChI=1/C11H16O8/c12-2-6-8(14)9(15)10(16)11(19-6)18-4-5-1-7(13)17-3-5/h1,6,8-12,14-16H,2-4H2/t6-,8-,9+,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=55.5051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.241 g/mol  logS: -0.16765  SlogP: -2.7139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662357  Sterimol/B1: 2.71109  Sterimol/B2: 3.68352  Sterimol/B3: 4.46547
  Sterimol/B4: 5.83573  Sterimol/L: 13.9762 
 
 Surface and Volume Properties
  Accessible surface: 483.434  Positive charged surface: 340.561  Negative charged surface: 142.873  Volume: 233.5
  Hydrophobic surface: 205.946  Hydrophilic surface: 277.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.