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ASINEX-ZINC04970923

 MMsINC code: MMs00418724
Type: Neutral
Formula: C20H15FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccccc1)C(=O)Nc1cc(F)ccc1
InChI:   InChI=1/C20H15FN2OS/c21-15-7-4-8-16(11-15)22-20(24)18-12-19-17(9-10-25-19)23(18)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,24)

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Potential Energy
Epot(MMFF94)=111.47 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: 0.0624446  Sterimol/B1: 2.40984  Sterimol/B2: 2.44597  Sterimol/B3: 4.48215
  Sterimol/B4: 9.18447  Sterimol/L: 15.6454 
 
 Surface and Volume Properties
  Accessible surface: 557.146  Positive charged surface: 248.21  Negative charged surface: 308.936  Volume: 320.5
  Hydrophobic surface: 515.796  Hydrophilic surface: 41.35
 
 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.