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NCID-ZINC05048524

 MMsINC code: MMs02432711
Type: Neutral
Formula: C6H4N6O4S2
SMILES:   S(=O)(=O)(N=[N+]=[N-])c1ccccc1S(=O)(=O)N=[N+]=[N-]
InChI:   InChI=1/C6H4N6O4S2/c7-9-11-17(13,14)5-3-1-2-4-6(5)18(15,16)12-10-8/h1-4H

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Potential Energy
Epot(MMFF94)=14.2581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.268 g/mol  logS: -2.22234  SlogP: 1.6846  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118173  Sterimol/B1: 2.89374  Sterimol/B2: 3.30538  Sterimol/B3: 3.9784
  Sterimol/B4: 5.29667  Sterimol/L: 11.0483 
 
 Surface and Volume Properties
  Accessible surface: 417.345  Positive charged surface: 96.2805  Negative charged surface: 321.064  Volume: 193.125
  Hydrophobic surface: 152.94  Hydrophilic surface: 264.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  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.