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NCID-ZINC01714913

 MMsINC code: MMs02340945
Type: Neutral
Formula: C9H9F3N2O3S2
SMILES:   S(SC(F)(F)F)(=O)(=O)c1ccc(NC(=O)NC)cc1
InChI:   InChI=1/C9H9F3N2O3S2/c1-13-8(15)14-6-2-4-7(5-3-6)19(16,17)18-9(10,11)12/h2-5H,1H3,(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=-1.84892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.308 g/mol  logS: -3.81163  SlogP: 2.7995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0449702  Sterimol/B1: 3.33726  Sterimol/B2: 3.55178  Sterimol/B3: 3.84533
  Sterimol/B4: 4.35206  Sterimol/L: 15.0178 
 
 Surface and Volume Properties
  Accessible surface: 462.512  Positive charged surface: 212.454  Negative charged surface: 250.059  Volume: 229.5
  Hydrophobic surface: 201.249  Hydrophilic surface: 261.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.