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PUBCHEM-ZINC05764091

 MMsINC code: MMs03377497
Type: Neutral
Formula: C11H14O5
SMILES:   O1C(C)C(C=2OC(=O)C=C(OC)C=2C1O)C
InChI:   InChI=1/C11H14O5/c1-5-6(2)15-11(13)9-7(14-3)4-8(12)16-10(5)9/h4-6,11,13H,1-3H3/t5-,6+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=41.8106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.228 g/mol  logS: -2.02152  SlogP: 0.7008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819771  Sterimol/B1: 2.35186  Sterimol/B2: 3.68131  Sterimol/B3: 3.83677
  Sterimol/B4: 5.99079  Sterimol/L: 11.83 
 
 Surface and Volume Properties
  Accessible surface: 418.571  Positive charged surface: 292.817  Negative charged surface: 125.754  Volume: 204.25
  Hydrophobic surface: 259.311  Hydrophilic surface: 159.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.