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PUBCHEM-ZINC02567271

 MMsINC code: MMs02902189
Type: Ionized
Formula: C11H11N2O5S-
SMILES:   S(CC(NC(=O)C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C11H12N2O5S/c1-7(14)12-10(11(15)16)6-19-9-4-2-8(3-5-9)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)/p-1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=53.2786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.284 g/mol  logS: -3.63273  SlogP: -0.0585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973049  Sterimol/B1: 2.31872  Sterimol/B2: 3.52101  Sterimol/B3: 4.33017
  Sterimol/B4: 6.96549  Sterimol/L: 15.3503 
 
 Surface and Volume Properties
  Accessible surface: 484.907  Positive charged surface: 213.609  Negative charged surface: 271.298  Volume: 237.875
  Hydrophobic surface: 252.196  Hydrophilic surface: 232.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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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MMs02902188
PUBCHEM-ZINC02567271