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PUBCHEM-ZINC06403310

 MMsINC code: MMs03707925
Type: Neutral
Formula: C7H13N2O4-
SMILES:   O(C(=O)C(NC(=O)C[NH-])CO)CC
InChI:   InChI=1/C7H13N2O4/c1-2-13-7(12)5(4-10)9-6(11)3-8/h5,8,10H,2-4H2,1H3,(H,9,11)/q-1/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=55.3204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.191 g/mol  logS: -0.0117  SlogP: -1.6905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0694501  Sterimol/B1: 2.9485  Sterimol/B2: 3.04595  Sterimol/B3: 3.36028
  Sterimol/B4: 4.56878  Sterimol/L: 14.1272 
 
 Surface and Volume Properties
  Accessible surface: 411.656  Positive charged surface: 288.731  Negative charged surface: 122.925  Volume: 175.75
  Hydrophobic surface: 208.176  Hydrophilic surface: 203.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 1  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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Ions/Tautomers related molecules: no related molecules available.