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CHEMBRIDGE-ZINC04952248

 MMsINC code: MMs00814057
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-/m0/s1

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Potential Energy
Epot(MMFF94)=49.5379 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: 0.181797  Sterimol/B1: 3.08001  Sterimol/B2: 3.28535  Sterimol/B3: 4.26099
  Sterimol/B4: 9.00808  Sterimol/L: 13.2078 
 
 Surface and Volume Properties
  Accessible surface: 505.668  Positive charged surface: 331.267  Negative charged surface: 174.401  Volume: 237.75
  Hydrophobic surface: 354.559  Hydrophilic surface: 151.109
 
 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.