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PUBCHEM-ZINC04831484

 MMsINC code: MMs03177212
Type: Neutral
Formula: C14H22O8
SMILES:   O(C(C(OC(=O)C)C(OC(=O)C)C)C(OC(=O)C)C)C(=O)C
InChI:   InChI=1/C14H22O8/c1-7(19-9(3)15)13(21-11(5)17)14(22-12(6)18)8(2)20-10(4)16/h7-8,13-14H,1-6H3/t7-,8+,13-,14+

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Potential Energy
Epot(MMFF94)=52.3754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.322 g/mol  logS: -1.90708  SlogP: 0.753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129594  Sterimol/B1: 3.25239  Sterimol/B2: 3.51085  Sterimol/B3: 3.9293
  Sterimol/B4: 8.56587  Sterimol/L: 13.5921 
 
 Surface and Volume Properties
  Accessible surface: 548.802  Positive charged surface: 332.932  Negative charged surface: 215.87  Volume: 297.875
  Hydrophobic surface: 401.545  Hydrophilic surface: 147.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.