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ASINEX-ZINC04971313

 MMsINC code: MMs00418949
Type: Neutral
Formula: C22H19FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)NCCc1ccccc1
InChI:   InChI=1/C22H19FN2OS/c23-18-8-6-17(7-9-18)15-25-19-11-13-27-21(19)14-20(25)22(26)24-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,24,26)

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Potential Energy
Epot(MMFF94)=58.2169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.471 g/mol  logS: -5.38264  SlogP: 5.12907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0540614  Sterimol/B1: 3.50409  Sterimol/B2: 3.85869  Sterimol/B3: 5.36211
  Sterimol/B4: 6.88453  Sterimol/L: 17.4654 
 
 Surface and Volume Properties
  Accessible surface: 640.588  Positive charged surface: 321.79  Negative charged surface: 318.799  Volume: 359.625
  Hydrophobic surface: 598.596  Hydrophilic surface: 41.992
 
 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.