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CHEMBRIDGE-ZINC02835880

 MMsINC code: MMs00722763
Type: Neutral
Formula: C14H24O5
SMILES:   O(C(=O)C(CCC(=O)CC(C)C)C(OCC)=O)CC
InChI:   InChI=1/C14H24O5/c1-5-18-13(16)12(14(17)19-6-2)8-7-11(15)9-10(3)4/h10,12H,5-9H2,1-4H3

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Potential Energy
Epot(MMFF94)=24.7757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.341 g/mol  logS: -2.47239  SlogP: 2.1242  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.055552  Sterimol/B1: 3.03627  Sterimol/B2: 3.09086  Sterimol/B3: 3.60778
  Sterimol/B4: 7.62067  Sterimol/L: 17.0095 
 
 Surface and Volume Properties
  Accessible surface: 565.799  Positive charged surface: 412.438  Negative charged surface: 153.361  Volume: 279.875
  Hydrophobic surface: 398.503  Hydrophilic surface: 167.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.