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ALFAAESAR-ZINC01690605

 MMsINC code: MMs00021885
Type: Neutral
Formula: C13H24O4
SMILES:   O(C(=O)CCCCCCCC(OCC)=O)CC
InChI:   InChI=1/C13H24O4/c1-3-16-12(14)10-8-6-5-7-9-11-13(15)17-4-2/h3-11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.0789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.331 g/mol  logS: -2.77434  SlogP: 2.8433  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0138838  Sterimol/B1: 2.37495  Sterimol/B2: 2.37596  Sterimol/B3: 2.50558
  Sterimol/B4: 3.42876  Sterimol/L: 21.9437 
 
 Surface and Volume Properties
  Accessible surface: 566.098  Positive charged surface: 434.923  Negative charged surface: 131.174  Volume: 263.375
  Hydrophobic surface: 441.017  Hydrophilic surface: 125.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.