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PUBCHEM-ZINC05733384

 MMsINC code: MMs03364266
Type: Ionized
Formula: C9H14NO6-
SMILES:   O(C(=O)N(C(C(C)C)C(=O)[O-])C(OC)=O)C
InChI:   InChI=1/C9H15NO6/c1-5(2)6(7(11)12)10(8(13)15-3)9(14)16-4/h5-6H,1-4H3,(H,11,12)/p-1/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=7.83124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.212 g/mol  logS: -1.18511  SlogP: -0.4043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.270469  Sterimol/B1: 2.21615  Sterimol/B2: 3.03983  Sterimol/B3: 6.4298
  Sterimol/B4: 6.67085  Sterimol/L: 11.4679 
 
 Surface and Volume Properties
  Accessible surface: 431.311  Positive charged surface: 296.106  Negative charged surface: 135.205  Volume: 209.875
  Hydrophobic surface: 275.403  Hydrophilic surface: 155.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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:


MMs03364265
PUBCHEM-ZINC05733384