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PUBCHEM-ZINC05782379

 MMsINC code: MMs03383901
Type: Neutral
Formula: C14H24O5
SMILES:   O(C(=O)C(C(=O)CCCCC)CC(OCC)=O)CC
InChI:   InChI=1/C14H24O5/c1-4-7-8-9-12(15)11(14(17)19-6-3)10-13(16)18-5-2/h11H,4-10H2,1-3H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=12.3362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.341 g/mol  logS: -2.78584  SlogP: 2.2683  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0348198  Sterimol/B1: 2.61918  Sterimol/B2: 3.63341  Sterimol/B3: 4.87535
  Sterimol/B4: 5.99616  Sterimol/L: 18.1387 
 
 Surface and Volume Properties
  Accessible surface: 569.833  Positive charged surface: 426.158  Negative charged surface: 143.675  Volume: 281.5
  Hydrophobic surface: 427.743  Hydrophilic surface: 142.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.