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PUBCHEM-ZINC05837839

 MMsINC code: MMs03409001
Type: Neutral
Formula: C15H24O8
SMILES:   O(C(=O)C(OC(=O)/C(=C/C(O)=O)/CCOCC)C)CCOCC
InChI:   InChI=1/C15H24O8/c1-4-20-7-6-12(10-13(16)17)15(19)23-11(3)14(18)22-9-8-21-5-2/h10-11H,4-9H2,1-3H3,(H,16,17)/b12-10-/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=42.2357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.349 g/mol  logS: -2.06696  SlogP: 0.9354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751594  Sterimol/B1: 2.26079  Sterimol/B2: 3.98281  Sterimol/B3: 4.06093
  Sterimol/B4: 11.1739  Sterimol/L: 16.7977 
 
 Surface and Volume Properties
  Accessible surface: 657.448  Positive charged surface: 477.524  Negative charged surface: 179.924  Volume: 313.5
  Hydrophobic surface: 442.223  Hydrophilic surface: 215.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03409002
PUBCHEM-ZINC05837839