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PUBCHEM-ZINC05521892

 MMsINC code: MMs03296244
Type: Neutral
Formula: C18H13FN2O2S2
SMILES:   s1cccc1C(=O)N\C(=C\c1sccc1)\C(=O)Nc1cc(F)ccc1
InChI:   InChI=1/C18H13FN2O2S2/c19-12-4-1-5-13(10-12)20-17(22)15(11-14-6-2-8-24-14)21-18(23)16-7-3-9-25-16/h1-11H,(H,20,22)(H,21,23)/b15-11-

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Potential Energy
Epot(MMFF94)=107.42 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.444 g/mol  logS: -5.77503  SlogP: 4.3583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312589  Sterimol/B1: 3.14201  Sterimol/B2: 3.54798  Sterimol/B3: 6.37177
  Sterimol/B4: 6.48884  Sterimol/L: 15.553 
 
 Surface and Volume Properties
  Accessible surface: 591.203  Positive charged surface: 256.968  Negative charged surface: 334.235  Volume: 321.625
  Hydrophobic surface: 529.569  Hydrophilic surface: 61.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.