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PUBCHEM-ZINC05761154

 MMsINC code: MMs03374392
Type: Ionized
Formula: C11H19N2O6-
SMILES:   O(\[N+](\[O-])=C\C(=O)NC(C(C)C)C(O)C(C(=O)[O-])C)C
InChI:   InChI=1/C11H20N2O6/c1-6(2)9(10(15)7(3)11(16)17)12-8(14)5-13(18)19-4/h5-7,9-10,15H,1-4H3,(H,12,14)(H,16,17)/p-1/b13-5+/t7-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.93643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.281 g/mol  logS: -1.22469  SlogP: -1.9834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0877072  Sterimol/B1: 2.77314  Sterimol/B2: 3.20649  Sterimol/B3: 3.38161
  Sterimol/B4: 8.19825  Sterimol/L: 14.0925 
 
 Surface and Volume Properties
  Accessible surface: 489.59  Positive charged surface: 302.222  Negative charged surface: 187.368  Volume: 250.875
  Hydrophobic surface: 272.406  Hydrophilic surface: 217.184
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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:


MMs03374391
PUBCHEM-ZINC05761154