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ASINEX-ZINC00933967

 MMsINC code: MMs00226134
Type: Neutral
Formula: C22H17FN2OS
SMILES:   s1c2c(nc1C(Cc1ccccc1)C(=O)Nc1ccccc1F)cccc2
InChI:   InChI=1/C22H17FN2OS/c23-17-10-4-5-11-18(17)24-21(26)16(14-15-8-2-1-3-9-15)22-25-19-12-6-7-13-20(19)27-22/h1-13,16H,14H2,(H,24,26)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=97.0239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.455 g/mol  logS: -5.93218  SlogP: 5.40037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735403  Sterimol/B1: 2.86864  Sterimol/B2: 3.4349  Sterimol/B3: 4.19716
  Sterimol/B4: 9.72223  Sterimol/L: 15.4689 
 
 Surface and Volume Properties
  Accessible surface: 619.323  Positive charged surface: 325.828  Negative charged surface: 293.495  Volume: 350.125
  Hydrophobic surface: 579.078  Hydrophilic surface: 40.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.