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PUBCHEM-ZINC05854756

 MMsINC code: MMs03418992
Type: Neutral
Formula: C14H22O5
SMILES:   O=C1CC(CCC1)C(C(OCC)=O)(C(OCC)=O)C
InChI:   InChI=1/C14H22O5/c1-4-18-12(16)14(3,13(17)19-5-2)10-7-6-8-11(15)9-10/h10H,4-9H2,1-3H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=44.3459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.325 g/mol  logS: -2.0569  SlogP: 1.8782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171799  Sterimol/B1: 2.89462  Sterimol/B2: 3.62127  Sterimol/B3: 3.9645
  Sterimol/B4: 7.37317  Sterimol/L: 14.3123 
 
 Surface and Volume Properties
  Accessible surface: 505.661  Positive charged surface: 348.466  Negative charged surface: 157.195  Volume: 265.375
  Hydrophobic surface: 362.285  Hydrophilic surface: 143.376
 
 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.