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APOLLO-ZINC00340539

 MMsINC code: MMs00048717
Type: Neutral
Formula: C6H5F2NO2S
SMILES:   S(=O)(=O)(N)c1cc(F)c(F)cc1
InChI:   InChI=1/C6H5F2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-2.63187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.173 g/mol  logS: -2.20145  SlogP: 0.6122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104185  Sterimol/B1: 2.45302  Sterimol/B2: 2.84339  Sterimol/B3: 3.17239
  Sterimol/B4: 5.02981  Sterimol/L: 10.3163 
 
 Surface and Volume Properties
  Accessible surface: 327.02  Positive charged surface: 132.92  Negative charged surface: 194.1  Volume: 137.75
  Hydrophobic surface: 194.281  Hydrophilic surface: 132.739
 
 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


MMs00048718
APOLLO-ZINC00340539