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PUBCHEM-ZINC05819621

 MMsINC code: MMs03398721
Type: Neutral
Formula: C11H20O4
SMILES:   O(C(COC(=O)CCC)C)C(=O)CCC
InChI:   InChI=1/C11H20O4/c1-4-6-10(12)14-8-9(3)15-11(13)7-5-2/h9H,4-8H2,1-3H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=14.6802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -2.18279  SlogP: 2.0615  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0509355  Sterimol/B1: 2.45968  Sterimol/B2: 2.81659  Sterimol/B3: 3.77639
  Sterimol/B4: 6.25747  Sterimol/L: 16.7299 
 
 Surface and Volume Properties
  Accessible surface: 500.7  Positive charged surface: 369.253  Negative charged surface: 131.448  Volume: 224.875
  Hydrophobic surface: 371.593  Hydrophilic surface: 129.107
 
 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.