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PUBCHEM-ZINC04760164

 MMsINC code: MMs03166958
Type: Ionized
Formula: C6H10NO4-
SMILES:   OC(C(NC(=O)C)C(=O)[O-])C
InChI:   InChI=1/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/p-1/t3-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=15.7765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.149 g/mol  logS: -0.15143  SlogP: -2.3782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.224436  Sterimol/B1: 2.15742  Sterimol/B2: 3.2934  Sterimol/B3: 3.3277
  Sterimol/B4: 6.31332  Sterimol/L: 9.47205 
 
 Surface and Volume Properties
  Accessible surface: 334.431  Positive charged surface: 183.083  Negative charged surface: 151.348  Volume: 143.375
  Hydrophobic surface: 160.221  Hydrophilic surface: 174.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  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:


MMs03166957
PUBCHEM-ZINC04760164