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NCID-ZINC05179658

 MMsINC code: MMs02446057
Type: Ionized
Formula: C14H27N2O4-
SMILES:   O=C([O-])C(NCC[NH2+]C(CCCC)C(=O)[O-])CCCC
InChI:   InChI=1/C14H28N2O4/c1-3-5-7-11(13(17)18)15-9-10-16-12(14(19)20)8-6-4-2/h11-12,15-16H,3-10H2,1-2H3,(H,17,18)(H,19,20)/p-1/t11-,12+

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Potential Energy
Epot(MMFF94)=40.7942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.38 g/mol  logS: -2.73145  SlogP: -2.2432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0741084  Sterimol/B1: 2.53777  Sterimol/B2: 2.54196  Sterimol/B3: 5.78452
  Sterimol/B4: 8.24371  Sterimol/L: 16.9493 
 
 Surface and Volume Properties
  Accessible surface: 598.998  Positive charged surface: 407.666  Negative charged surface: 191.332  Volume: 297.5
  Hydrophobic surface: 370.021  Hydrophilic surface: 228.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  Basic groups: 1
  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:


MMs02446056
NCID-ZINC05179658