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ASINEX-ZINC04971309

 MMsINC code: MMs00418947
Type: Neutral
Formula: C20H15FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)Nc1ccccc1
InChI:   InChI=1/C20H15FN2OS/c21-15-8-6-14(7-9-15)13-23-17-10-11-25-19(17)12-18(23)20(24)22-16-4-2-1-3-5-16/h1-12H,13H2,(H,22,24)

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Potential Energy
Epot(MMFF94)=75.1826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.417 g/mol  logS: -5.37713  SlogP: 5.4089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521358  Sterimol/B1: 3.42668  Sterimol/B2: 3.53442  Sterimol/B3: 4.9375
  Sterimol/B4: 7.10568  Sterimol/L: 14.9875 
 
 Surface and Volume Properties
  Accessible surface: 569.663  Positive charged surface: 266.047  Negative charged surface: 303.616  Volume: 323.125
  Hydrophobic surface: 529.943  Hydrophilic surface: 39.72
 
 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.