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PUBCHEM-ZINC06020554

 MMsINC code: MMs03495643
Type: Ionized
Formula: C12H23O3-
SMILES:   OC(CCCCCCCCCC(=O)[O-])C
InChI:   InChI=1/C12H24O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/p-1/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=6.6851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.313 g/mol  logS: -3.03483  SlogP: 1.628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234709  Sterimol/B1: 2.2538  Sterimol/B2: 2.50121  Sterimol/B3: 2.74975
  Sterimol/B4: 3.8772  Sterimol/L: 19.1751 
 
 Surface and Volume Properties
  Accessible surface: 510.49  Positive charged surface: 373.906  Negative charged surface: 136.583  Volume: 238.625
  Hydrophobic surface: 350.987  Hydrophilic surface: 159.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs03495642
PUBCHEM-ZINC06020554