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NCID-ZINC01704504

 MMsINC code: MMs02333285
Type: Neutral
Formula: C12H10N2O3S
SMILES:   S(=O)(=O)(N=[N+]([O-])c1ccccc1)c1ccccc1
InChI:   InChI=1/C12H10N2O3S/c15-14(11-7-3-1-4-8-11)13-18(16,17)12-9-5-2-6-10-12/h1-10H/b14-13-

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Potential Energy
Epot(MMFF94)=43.3189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.289 g/mol  logS: -3.83406  SlogP: 2.6695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0761255  Sterimol/B1: 3.11821  Sterimol/B2: 3.61836  Sterimol/B3: 3.61902
  Sterimol/B4: 5.67042  Sterimol/L: 14.4319 
 
 Surface and Volume Properties
  Accessible surface: 465.541  Positive charged surface: 191.16  Negative charged surface: 274.38  Volume: 228
  Hydrophobic surface: 376.837  Hydrophilic surface: 88.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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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Ions/Tautomers related molecules: no related molecules available.