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ENAMINE-ZINC07141077

 MMsINC code: MMs01722723
Type: Neutral
Formula: C14H24O5
SMILES:   O(C)C1CCC(C(C(OC)=O)C(OC)=O)(C)C1(C)C
InChI:   InChI=1/C14H24O5/c1-13(2)9(17-4)7-8-14(13,3)10(11(15)18-5)12(16)19-6/h9-10H,7-8H2,1-6H3/t9-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=125.972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.341 g/mol  logS: -2.05524  SlogP: 1.7899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174731  Sterimol/B1: 2.33473  Sterimol/B2: 3.70596  Sterimol/B3: 4.96763
  Sterimol/B4: 6.19305  Sterimol/L: 13.8218 
 
 Surface and Volume Properties
  Accessible surface: 493.741  Positive charged surface: 410.487  Negative charged surface: 83.2536  Volume: 268.25
  Hydrophobic surface: 417.894  Hydrophilic surface: 75.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.