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PUBCHEM-ZINC05855048

 MMsINC code: MMs03419142
Type: Neutral
Formula: C15H22O9
SMILES:   O(C(CC(OCC)=O)(CC(OCC)=O)C(OCC)=O)C(=O)C(=O)C
InChI:   InChI=1/C15H22O9/c1-5-21-11(17)8-15(14(20)23-7-3,9-12(18)22-6-2)24-13(19)10(4)16/h5-9H2,1-4H3

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Potential Energy
Epot(MMFF94)=54.8511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.332 g/mol  logS: -2.3074  SlogP: 0.3269  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.087279  Sterimol/B1: 2.5914  Sterimol/B2: 4.61883  Sterimol/B3: 6.93288
  Sterimol/B4: 7.34985  Sterimol/L: 16.9357 
 
 Surface and Volume Properties
  Accessible surface: 639.789  Positive charged surface: 433.598  Negative charged surface: 206.19  Volume: 314.875
  Hydrophobic surface: 447.825  Hydrophilic surface: 191.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.