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ASINEX-ZINC00344682

 MMsINC code: MMs00121627
Type: Neutral
Formula: C8H8F3NO2S
SMILES:   S(=O)(=O)(C(F)(F)F)c1cc(N)c(cc1)C
InChI:   InChI=1/C8H8F3NO2S/c1-5-2-3-6(4-7(5)12)15(13,14)8(9,10)11/h2-4H,12H2,1H3

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Potential Energy
Epot(MMFF94)=72.9778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.217 g/mol  logS: -2.54587  SlogP: 2.29062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0911323  Sterimol/B1: 2.80835  Sterimol/B2: 3.41974  Sterimol/B3: 3.52257
  Sterimol/B4: 4.75843  Sterimol/L: 11.5534 
 
 Surface and Volume Properties
  Accessible surface: 380.734  Positive charged surface: 148.381  Negative charged surface: 232.352  Volume: 174.875
  Hydrophobic surface: 168.517  Hydrophilic surface: 212.217
 
 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.