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PUBCHEM-ZINC02029360

 MMsINC code: MMs02858516
Type: Ionized
Formula: C14H24O4-2
SMILES:   O=C([O-])C(CCCCCCCCC(C(=O)[O-])C)C
InChI:   InChI=1/C14H26O4/c1-11(13(15)16)9-7-5-3-4-6-8-10-12(2)14(17)18/h11-12H,3-10H2,1-2H3,(H,15,16)(H,17,18)/p-2/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=20.7935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -3.76536  SlogP: 0.8792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345856  Sterimol/B1: 2.36636  Sterimol/B2: 2.842  Sterimol/B3: 3.96758
  Sterimol/B4: 4.6864  Sterimol/L: 19.3716 
 
 Surface and Volume Properties
  Accessible surface: 550.352  Positive charged surface: 359.839  Negative charged surface: 190.513  Volume: 270.75
  Hydrophobic surface: 351.103  Hydrophilic surface: 199.249
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs02858515
PUBCHEM-ZINC02029360