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PUBCHEM-ZINC05705279

 MMsINC code: MMs03354405
Type: Neutral
Formula: C6H7N3O3S
SMILES:   S(=O)(=O)(NC(=O)c1ccncc1)N
InChI:   InChI=1/C6H7N3O3S/c7-13(11,12)9-6(10)5-1-3-8-4-2-5/h1-4H,(H,9,10)(H2,7,11,12)

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Potential Energy
Epot(MMFF94)=-37.2067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.206 g/mol  logS: -0.58188  SlogP: -0.9851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516222  Sterimol/B1: 2.50043  Sterimol/B2: 2.87768  Sterimol/B3: 3.31367
  Sterimol/B4: 5.017  Sterimol/L: 11.2185 
 
 Surface and Volume Properties
  Accessible surface: 354.472  Positive charged surface: 202.583  Negative charged surface: 151.888  Volume: 154.875
  Hydrophobic surface: 161.472  Hydrophilic surface: 193
 
 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.