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PUBCHEM-ZINC00306186

 MMsINC code: MMs02652227
Type: Neutral
Formula: C10H10N4O3S
SMILES:   S(=O)(=O)(n1ncnc1)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C10H10N4O3S/c1-8(15)13-9-2-4-10(5-3-9)18(16,17)14-7-11-6-12-14/h2-7H,1H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=81.4316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.281 g/mol  logS: -2.13379  SlogP: 0.4735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0834017  Sterimol/B1: 3.05459  Sterimol/B2: 3.1811  Sterimol/B3: 4.18893
  Sterimol/B4: 4.51679  Sterimol/L: 14.172 
 
 Surface and Volume Properties
  Accessible surface: 452.719  Positive charged surface: 256.092  Negative charged surface: 196.626  Volume: 221.25
  Hydrophobic surface: 266.762  Hydrophilic surface: 185.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.