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ACROSORGANICS-ZINC01593115

 MMsINC code: MMs00009703
Type: Ionized
Formula: C11H18O4-2
SMILES:   O=C([O-])CCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.15321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.261 g/mol  logS: -2.8466  SlogP: -0.0029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025162  Sterimol/B1: 2.13652  Sterimol/B2: 2.36871  Sterimol/B3: 2.37249
  Sterimol/B4: 3.85139  Sterimol/L: 18.4244 
 
 Surface and Volume Properties
  Accessible surface: 479.582  Positive charged surface: 308.669  Negative charged surface: 170.913  Volume: 213.875
  Hydrophobic surface: 284.82  Hydrophilic surface: 194.762
 
 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:


MMs00009702
ACROSORGANICS-ZINC01593115