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APOLLO-ZINC00159612

 MMsINC code: MMs00045485
Type: Neutral
Formula: C6H5F2NO2S
SMILES:   S(=O)(=O)(N)c1ccc(F)cc1F
InChI:   InChI=1/C6H5F2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-12.3711 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: 0.0913109  Sterimol/B1: 2.6385  Sterimol/B2: 2.64935  Sterimol/B3: 3.61179
  Sterimol/B4: 4.85267  Sterimol/L: 10.3217 
 
 Surface and Volume Properties
  Accessible surface: 323.525  Positive charged surface: 131.938  Negative charged surface: 191.586  Volume: 136.625
  Hydrophobic surface: 194.011  Hydrophilic surface: 129.514
 
 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


MMs00045486
APOLLO-ZINC00159612