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NCID-ZINC01713975

 MMsINC code: MMs02340355
Type: Neutral
Formula: C13H24O4
SMILES:   O(C(=O)C(CC(CCC)C)C(OCC)=O)CC
InChI:   InChI=1/C13H24O4/c1-5-8-10(4)9-11(12(14)16-6-2)13(15)17-7-3/h10-11H,5-9H2,1-4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=20.2891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.331 g/mol  logS: -3.72109  SlogP: 2.5551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736634  Sterimol/B1: 2.5678  Sterimol/B2: 4.3141  Sterimol/B3: 4.72482
  Sterimol/B4: 5.80446  Sterimol/L: 15.4607 
 
 Surface and Volume Properties
  Accessible surface: 526.888  Positive charged surface: 385.575  Negative charged surface: 141.313  Volume: 260.5
  Hydrophobic surface: 383.731  Hydrophilic surface: 143.157
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.