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MAYBRIDGE-ZINC04344879

 MMsINC code: MMs02170013
Type: Neutral
Formula: C12H12N2O3S2
SMILES:   s1cccc1S(=O)(=O)Cc1cc(ccc1)/C(=N\O)/N
InChI:   InChI=1/C12H12N2O3S2/c13-12(14-15)10-4-1-3-9(7-10)8-19(16,17)11-5-2-6-18-11/h1-7,15H,8H2,(H2,13,14)

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Potential Energy
Epot(MMFF94)=72.1833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.371 g/mol  logS: -3.32582  SlogP: 2.0829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259816  Sterimol/B1: 2.53498  Sterimol/B2: 2.66426  Sterimol/B3: 3.48035
  Sterimol/B4: 7.76043  Sterimol/L: 15.2131 
 
 Surface and Volume Properties
  Accessible surface: 497.431  Positive charged surface: 239.995  Negative charged surface: 257.436  Volume: 251.75
  Hydrophobic surface: 314.03  Hydrophilic surface: 183.401
 
 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.