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PUBCHEM-ZINC00340850

 MMsINC code: MMs02659196
Type: Neutral
Formula: C11H18O9
SMILES:   O1C(C(OC)(OC)C(OC)=O)C(O)C(OC)(OC)C1=O
InChI:   InChI=1/C11H18O9/c1-15-8(13)11(18-4,19-5)7-6(12)10(16-2,17-3)9(14)20-7/h6-7,12H,1-5H3/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=135.965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.256 g/mol  logS: -1.03566  SlogP: -1.5761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200585  Sterimol/B1: 2.14463  Sterimol/B2: 3.46199  Sterimol/B3: 4.75046
  Sterimol/B4: 7.15479  Sterimol/L: 12.6885 
 
 Surface and Volume Properties
  Accessible surface: 457.51  Positive charged surface: 373.51  Negative charged surface: 84.0008  Volume: 251
  Hydrophobic surface: 330.583  Hydrophilic surface: 126.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02659197
PUBCHEM-ZINC00340850