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PUBCHEM-ZINC01670205

 MMsINC code: MMs02818485
Type: Neutral
Formula: C6H7N5O2S
SMILES:   S(=O)(=O)(C)c1[nH]c2ncnc(N)c2n1
InChI:   InChI=1/C6H7N5O2S/c1-14(12,13)6-10-3-4(7)8-2-9-5(3)11-6/h2H,1H3,(H3,7,8,9,10,11)

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Potential Energy
Epot(MMFF94)=36.9032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.221 g/mol  logS: -2.24651  SlogP: -0.6614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736118  Sterimol/B1: 2.05294  Sterimol/B2: 3.71525  Sterimol/B3: 4.13393
  Sterimol/B4: 4.15533  Sterimol/L: 11.4736 
 
 Surface and Volume Properties
  Accessible surface: 376.014  Positive charged surface: 234.8  Negative charged surface: 141.213  Volume: 163.75
  Hydrophobic surface: 124.98  Hydrophilic surface: 251.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.