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PUBCHEM-ZINC03619305

 MMsINC code: MMs03023722
Type: Ionized
Formula: C15H26O4-2
SMILES:   O=C([O-])C(CCCCCCCC(C(=O)[O-])(C)C)(C)C
InChI:   InChI=1/C15H28O4/c1-14(2,12(16)17)10-8-6-5-7-9-11-15(3,4)13(18)19/h5-11H2,1-4H3,(H,16,17)(H,18,19)/p-2

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Potential Energy
Epot(MMFF94)=44.7248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.369 g/mol  logS: -3.65368  SlogP: 1.2693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0542597  Sterimol/B1: 2.36218  Sterimol/B2: 2.37409  Sterimol/B3: 4.85388
  Sterimol/B4: 4.92948  Sterimol/L: 18.6149 
 
 Surface and Volume Properties
  Accessible surface: 555.318  Positive charged surface: 357.278  Negative charged surface: 198.04  Volume: 287.375
  Hydrophobic surface: 348.689  Hydrophilic surface: 206.629
 
 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:


MMs03023721
PUBCHEM-ZINC03619305