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ASINEX-ZINC01339985

 MMsINC code: MMs00239450
Type: Neutral
Formula: C20H19FN2OS
SMILES:   S(CC(=O)Nc1ccc(F)cc1)c1nc2cc(ccc2cc1CC)C
InChI:   InChI=1/C20H19FN2OS/c1-3-14-11-15-5-4-13(2)10-18(15)23-20(14)25-12-19(24)22-17-8-6-16(21)7-9-17/h4-11H,3,12H2,1-2H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=84.282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.449 g/mol  logS: -6.7471  SlogP: 4.97549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236324  Sterimol/B1: 2.0916  Sterimol/B2: 2.53776  Sterimol/B3: 3.90663
  Sterimol/B4: 9.95193  Sterimol/L: 18.4915 
 
 Surface and Volume Properties
  Accessible surface: 631.211  Positive charged surface: 364.043  Negative charged surface: 261.199  Volume: 336.75
  Hydrophobic surface: 527.607  Hydrophilic surface: 103.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.