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BACHEM-ZINC02560343

 MMsINC code: MMs00483798
Type: Ionized
Formula: C11H18NO5-
SMILES:   O(C(C)(C)C)C(=O)CCC(NC(=O)C)C(=O)[O-]
InChI:   InChI=1/C11H19NO5/c1-7(13)12-8(10(15)16)5-6-9(14)17-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)(H,15,16)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=28.7807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.267 g/mol  logS: -1.50025  SlogP: -0.6371  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0869409  Sterimol/B1: 2.31272  Sterimol/B2: 3.41161  Sterimol/B3: 3.70157
  Sterimol/B4: 7.60955  Sterimol/L: 13.155 
 
 Surface and Volume Properties
  Accessible surface: 490.736  Positive charged surface: 303.472  Negative charged surface: 187.263  Volume: 235.5
  Hydrophobic surface: 290.36  Hydrophilic surface: 200.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs00483797
BACHEM-ZINC02560343