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PUBCHEM-ZINC06186807

 MMsINC code: MMs03587895
Type: Ionized
Formula: C11H19N2O5-
SMILES:   O(C(C)(C)C)C(=O)NC(CCC(=O)N)CC(=O)[O-]
InChI:   InChI=1/C11H20N2O5/c1-11(2,3)18-10(17)13-7(6-9(15)16)4-5-8(12)14/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/p-1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-12.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.282 g/mol  logS: -1.32202  SlogP: -0.7148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121034  Sterimol/B1: 3.54864  Sterimol/B2: 3.66748  Sterimol/B3: 3.67534
  Sterimol/B4: 7.92894  Sterimol/L: 12.4866 
 
 Surface and Volume Properties
  Accessible surface: 498.473  Positive charged surface: 321.167  Negative charged surface: 177.306  Volume: 243.25
  Hydrophobic surface: 221.84  Hydrophilic surface: 276.633
 
 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:


MMs03587894
PUBCHEM-ZINC06186807