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PUBCHEM-ZINC05718107

 MMsINC code: MMs03357366
Type: Neutral
Formula: C8H10F2N2O2S
SMILES:   S(=O)(=O)(Nc1cc(F)c(F)cc1)N(C)C
InChI:   InChI=1/C8H10F2N2O2S/c1-12(2)15(13,14)11-6-3-4-7(9)8(10)5-6/h3-5,11H,1-2H3

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Potential Energy
Epot(MMFF94)=-1.90331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.242 g/mol  logS: -1.58569  SlogP: 1.1831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251036  Sterimol/B1: 2.40024  Sterimol/B2: 2.50088  Sterimol/B3: 4.75104
  Sterimol/B4: 5.43076  Sterimol/L: 11.32 
 
 Surface and Volume Properties
  Accessible surface: 390.31  Positive charged surface: 228.562  Negative charged surface: 161.748  Volume: 189.125
  Hydrophobic surface: 310.778  Hydrophilic surface: 79.532
 
 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.