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PUBCHEM-ZINC04760161

 MMsINC code: MMs03166956
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)=16.0118 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: 0.160791  Sterimol/B1: 2.2937  Sterimol/B2: 3.31416  Sterimol/B3: 3.62869
  Sterimol/B4: 5.03986  Sterimol/L: 10.1363 
 
 Surface and Volume Properties
  Accessible surface: 338.817  Positive charged surface: 181.892  Negative charged surface: 156.925  Volume: 142.875
  Hydrophobic surface: 160.233  Hydrophilic surface: 178.584
 
 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:


MMs03166955
PUBCHEM-ZINC04760161