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ASINEX-ZINC04971323

 MMsINC code: MMs00418956
Type: Neutral
Formula: C22H19FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)Nc1c(cccc1C)C
InChI:   InChI=1/C22H19FN2OS/c1-14-4-3-5-15(2)21(14)24-22(26)19-12-20-18(10-11-27-20)25(19)13-16-6-8-17(23)9-7-16/h3-12H,13H2,1-2H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=143.891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.471 g/mol  logS: -5.69807  SlogP: 6.02574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.23011  Sterimol/B1: 2.15487  Sterimol/B2: 5.44825  Sterimol/B3: 6.34962
  Sterimol/B4: 6.88693  Sterimol/L: 15.6732 
 
 Surface and Volume Properties
  Accessible surface: 591.027  Positive charged surface: 276.555  Negative charged surface: 314.472  Volume: 355.75
  Hydrophobic surface: 561.736  Hydrophilic surface: 29.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.