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APOLLO-ZINC00154168

 MMsINC code: MMs00044303
Type: Neutral
Formula: C8H8F3NO2S
SMILES:   S(=O)(=O)(C)c1ccc(cc1N)C(F)(F)F
InChI:   InChI=1/C8H8F3NO2S/c1-15(13,14)7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3

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Potential Energy
Epot(MMFF94)=58.7757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.217 g/mol  logS: -2.303  SlogP: 2.0026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912371  Sterimol/B1: 2.35076  Sterimol/B2: 3.96498  Sterimol/B3: 4.20264
  Sterimol/B4: 4.43289  Sterimol/L: 11.3967 
 
 Surface and Volume Properties
  Accessible surface: 376.364  Positive charged surface: 139.726  Negative charged surface: 236.638  Volume: 175.375
  Hydrophobic surface: 170.517  Hydrophilic surface: 205.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.