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PUBCHEM-ZINC05973044

 MMsINC code: MMs03468547
Type: Ionized
Formula: C13H23O4-
SMILES:   O(C(=O)CCCCCC(=O)[O-])CCCCCC
InChI:   InChI=1/C13H24O4/c1-2-3-4-8-11-17-13(16)10-7-5-6-9-12(14)15/h2-11H2,1H3,(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=-0.172363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.323 g/mol  logS: -3.01224  SlogP: 1.8103  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0151901  Sterimol/B1: 2.15669  Sterimol/B2: 2.37947  Sterimol/B3: 2.382
  Sterimol/B4: 4.39871  Sterimol/L: 21.3195 
 
 Surface and Volume Properties
  Accessible surface: 558.904  Positive charged surface: 403.836  Negative charged surface: 155.068  Volume: 260.75
  Hydrophobic surface: 399.565  Hydrophilic surface: 159.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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:


MMs03468546
PUBCHEM-ZINC05973044