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PUBCHEM-ZINC06186790

 MMsINC code: MMs03587879
Type: Ionized
Formula: C15H28NO4-
SMILES:   O(C(C)(C)C)C(=O)NCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C15H29NO4/c1-15(2,3)20-14(19)16-12-10-8-6-4-5-7-9-11-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=-6.43727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.392 g/mol  logS: -3.62596  SlogP: 2.3818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217076  Sterimol/B1: 2.37536  Sterimol/B2: 2.85581  Sterimol/B3: 4.19638
  Sterimol/B4: 4.92242  Sterimol/L: 22.3476 
 
 Surface and Volume Properties
  Accessible surface: 629.987  Positive charged surface: 462.956  Negative charged surface: 167.032  Volume: 303.875
  Hydrophobic surface: 434.992  Hydrophilic surface: 194.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs03587878
PUBCHEM-ZINC06186790