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ACROSORGANICS-ZINC03860440

 MMsINC code: MMs00015408
Type: Ionized
Formula: C14H24O4-2
SMILES:   O=C([O-])CCCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.59361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -4.39226  SlogP: 1.1674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0165636  Sterimol/B1: 2.36826  Sterimol/B2: 2.37147  Sterimol/B3: 2.9478
  Sterimol/B4: 3.80637  Sterimol/L: 22.2105 
 
 Surface and Volume Properties
  Accessible surface: 571.417  Positive charged surface: 388.97  Negative charged surface: 182.447  Volume: 273.125
  Hydrophobic surface: 376.401  Hydrophilic surface: 195.016
 
 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:


MMs00015407
ACROSORGANICS-ZINC03860440