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PUBCHEM-ZINC05761381

 MMsINC code: MMs03374649
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)=-0.620942 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: 0.131107  Sterimol/B1: 3.09024  Sterimol/B2: 3.6731  Sterimol/B3: 4.01604
  Sterimol/B4: 6.8237  Sterimol/L: 13.3404 
 
 Surface and Volume Properties
  Accessible surface: 483.472  Positive charged surface: 289.217  Negative charged surface: 194.254  Volume: 254.25
  Hydrophobic surface: 262.3  Hydrophilic surface: 221.172
 
 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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MMs03374648
PUBCHEM-ZINC05761381