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MAYBRIDGE-ZINC00149020

 MMsINC code: MMs02141310
Type: Neutral
Formula: C10H7NO4S2
SMILES:   s1cc(S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]
InChI:   InChI=1/C10H7NO4S2/c12-11(13)10-6-9(7-16-10)17(14,15)8-4-2-1-3-5-8/h1-7H

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Potential Energy
Epot(MMFF94)=60.9309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.301 g/mol  logS: -4.10467  SlogP: 2.4891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138516  Sterimol/B1: 2.65992  Sterimol/B2: 3.37996  Sterimol/B3: 5.07793
  Sterimol/B4: 5.17294  Sterimol/L: 12.8252 
 
 Surface and Volume Properties
  Accessible surface: 431.066  Positive charged surface: 132.118  Negative charged surface: 298.948  Volume: 209.875
  Hydrophobic surface: 287.561  Hydrophilic surface: 143.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.