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PUBCHEM-ZINC01532391

 MMsINC code: MMs02813600
Type: Ionized
Formula: C8H14NO4-
SMILES:   OCCC(NC(=O)CCC)C(=O)[O-]
InChI:   InChI=1/C8H15NO4/c1-2-3-7(11)9-6(4-5-10)8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=16.2695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.203 g/mol  logS: -0.74298  SlogP: -1.5964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855794  Sterimol/B1: 2.54842  Sterimol/B2: 3.50878  Sterimol/B3: 4.25086
  Sterimol/B4: 4.77556  Sterimol/L: 12.0706 
 
 Surface and Volume Properties
  Accessible surface: 402.091  Positive charged surface: 261.094  Negative charged surface: 140.997  Volume: 179.125
  Hydrophobic surface: 213.282  Hydrophilic surface: 188.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs02813599
PUBCHEM-ZINC01532391