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CHEMDIV-ZINC00234727

 MMsINC code: MMs00844852
Type: Neutral
Formula: C8H8N4O2S2
SMILES:   s1nc(nc1N)NS(=O)(=O)c1ccccc1
InChI:   InChI=1/C8H8N4O2S2/c9-7-10-8(11-15-7)12-16(13,14)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)

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Potential Energy
Epot(MMFF94)=-14.1864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.31 g/mol  logS: -3.30755  SlogP: 0.9211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109401  Sterimol/B1: 2.72425  Sterimol/B2: 2.87205  Sterimol/B3: 4.53944
  Sterimol/B4: 6.27978  Sterimol/L: 12.3762 
 
 Surface and Volume Properties
  Accessible surface: 417.869  Positive charged surface: 248.573  Negative charged surface: 169.296  Volume: 200.625
  Hydrophobic surface: 221.375  Hydrophilic surface: 196.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.