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PUBCHEM-ZINC00431474

 MMsINC code: MMs02682829
Type: Neutral
Formula: C8H9FN2O2S
SMILES:   S(=O)(=O)(N\N=C\c1ccc(F)cc1)C
InChI:   InChI=1/C8H9FN2O2S/c1-14(12,13)11-10-6-7-2-4-8(9)5-3-7/h2-6,11H,1H3/b10-6+

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Potential Energy
Epot(MMFF94)=56.9278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.236 g/mol  logS: -1.98376  SlogP: 0.7088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423607  Sterimol/B1: 2.44904  Sterimol/B2: 3.003  Sterimol/B3: 4.39197
  Sterimol/B4: 4.82229  Sterimol/L: 13.0613 
 
 Surface and Volume Properties
  Accessible surface: 403.839  Positive charged surface: 199.109  Negative charged surface: 204.73  Volume: 180.75
  Hydrophobic surface: 282.864  Hydrophilic surface: 120.975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.