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IBS-ZINC04811653

 MMsINC code: MMs01895289
Type: Ionized
Formula: C11H17NO6-2
SMILES:   O=C([O-])CCCCCC[NH+](CC(=O)[O-])CC(=O)[O-]
InChI:   InChI=1/C11H19NO6/c13-9(14)5-3-1-2-4-6-12(7-10(15)16)8-11(17)18/h1-8H2,(H,13,14)(H,15,16)(H,17,18)/p-2

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Potential Energy
Epot(MMFF94)=37.9897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.258 g/mol  logS: -1.23536  SlogP: -4.9285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690456  Sterimol/B1: 3.3813  Sterimol/B2: 3.40451  Sterimol/B3: 4.99703
  Sterimol/B4: 5.48671  Sterimol/L: 14.6933 
 
 Surface and Volume Properties
  Accessible surface: 497.201  Positive charged surface: 280.163  Negative charged surface: 217.038  Volume: 239.375
  Hydrophobic surface: 216.434  Hydrophilic surface: 280.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  Basic groups: 1
  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: 0
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Parent related molecule:


MMs01895288
IBS-ZINC04811653