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IBS-ZINC04023216

 MMsINC code: MMs01874304
Type: Ionized
Formula: C14H24O5-2
SMILES:   OCCCCCCCCCCCC(C(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C14H26O5/c15-11-9-7-5-3-1-2-4-6-8-10-12(13(16)17)14(18)19/h12,15H,1-11H2,(H,16,17)(H,18,19)/p-2

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Potential Energy
Epot(MMFF94)=11.0175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.341 g/mol  logS: -3.86891  SlogP: -0.0043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.022049  Sterimol/B1: 2.58527  Sterimol/B2: 3.93925  Sterimol/B3: 3.95821
  Sterimol/B4: 4.00374  Sterimol/L: 20.9648 
 
 Surface and Volume Properties
  Accessible surface: 574.45  Positive charged surface: 384.741  Negative charged surface: 189.709  Volume: 274.625
  Hydrophobic surface: 363.993  Hydrophilic surface: 210.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs01874303
IBS-ZINC04023216