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IBS-ZINC02377216

 MMsINC code: MMs01847408
Type: Ionized
Formula: C11H18O4-2
SMILES:   O=C([O-])CC(CCCCCC)CC(=O)[O-]
InChI:   InChI=1/C11H20O4/c1-2-3-4-5-6-9(7-10(12)13)8-11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15)/p-2

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Potential Energy
Epot(MMFF94)=23.6445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.261 g/mol  logS: -3.16005  SlogP: -0.147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618585  Sterimol/B1: 3.12833  Sterimol/B2: 3.17557  Sterimol/B3: 4.2412
  Sterimol/B4: 5.30292  Sterimol/L: 14.0805 
 
 Surface and Volume Properties
  Accessible surface: 463.002  Positive charged surface: 278.158  Negative charged surface: 184.843  Volume: 217.75
  Hydrophobic surface: 260.575  Hydrophilic surface: 202.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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Parent related molecule:


MMs01847407
IBS-ZINC02377216