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CHEMBRIDGE-ZINC04952240

 MMsINC code: MMs00814055
Type: Neutral
Formula: C11H16O8
SMILES:   O1CC(OC(=O)C)C(OC(=O)C)C(O)C1OC(=O)C
InChI:   InChI=1/C11H16O8/c1-5(12)17-8-4-16-11(19-7(3)14)9(15)10(8)18-6(2)13/h8-11,15H,4H2,1-3H3/t8-,9-,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=51.8197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.241 g/mol  logS: -0.8068  SlogP: -0.8699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178675  Sterimol/B1: 2.27078  Sterimol/B2: 2.34522  Sterimol/B3: 5.24728
  Sterimol/B4: 8.79152  Sterimol/L: 13.2153 
 
 Surface and Volume Properties
  Accessible surface: 504.446  Positive charged surface: 329.028  Negative charged surface: 175.418  Volume: 239.375
  Hydrophobic surface: 352.256  Hydrophilic surface: 152.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.