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PUBCHEM-ZINC04530129

 MMsINC code: MMs03129342
Type: Neutral
Formula: C15H24O5
SMILES:   O=C1CC(=O)CC(CCC(OC)(C)C)C1C(OCC)=O
InChI:   InChI=1/C15H24O5/c1-5-20-14(18)13-10(6-7-15(2,3)19-4)8-11(16)9-12(13)17/h10,13H,5-9H2,1-4H3/t10-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=54.2673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.352 g/mol  logS: -1.93471  SlogP: 1.9191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097185  Sterimol/B1: 2.45887  Sterimol/B2: 3.84769  Sterimol/B3: 3.91833
  Sterimol/B4: 9.2556  Sterimol/L: 14.0008 
 
 Surface and Volume Properties
  Accessible surface: 536.153  Positive charged surface: 380.792  Negative charged surface: 155.361  Volume: 283.5
  Hydrophobic surface: 376.887  Hydrophilic surface: 159.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs03129343
PUBCHEM-ZINC04530129


MMs03129344
PUBCHEM-ZINC04530129