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PUBCHEM-ZINC05663162

 MMsINC code: MMs03339418
Type: Ionized
Formula: C6H10NO4-
SMILES:   OCC(NC(=O)C)(C(=O)[O-])C
InChI:   InChI=1/C6H11NO4/c1-4(9)7-6(2,3-8)5(10)11/h8H,3H2,1-2H3,(H,7,9)(H,10,11)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=24.2326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.149 g/mol  logS: -0.15143  SlogP: -2.3766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.292349  Sterimol/B1: 3.56037  Sterimol/B2: 3.70172  Sterimol/B3: 3.70771
  Sterimol/B4: 3.80708  Sterimol/L: 9.369 
 
 Surface and Volume Properties
  Accessible surface: 327.893  Positive charged surface: 187.13  Negative charged surface: 140.763  Volume: 143.875
  Hydrophobic surface: 169.127  Hydrophilic surface: 158.766
 
 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:


MMs03339417
PUBCHEM-ZINC05663162