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ASINEX-ZINC00413302

 MMsINC code: MMs00130069
Type: Neutral
Formula: C19H17FN2OS
SMILES:   S(CC(=O)Nc1ccccc1F)c1nc2c(cc1CC)cccc2
InChI:   InChI=1/C19H17FN2OS/c1-2-13-11-14-7-3-5-9-16(14)22-19(13)24-12-18(23)21-17-10-6-4-8-15(17)20/h3-11H,2,12H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=86.6132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.422 g/mol  logS: -6.27318  SlogP: 4.66707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241528  Sterimol/B1: 2.0933  Sterimol/B2: 2.56224  Sterimol/B3: 3.90437
  Sterimol/B4: 9.26547  Sterimol/L: 17.9591 
 
 Surface and Volume Properties
  Accessible surface: 600.509  Positive charged surface: 339.758  Negative charged surface: 254.782  Volume: 321.375
  Hydrophobic surface: 498.541  Hydrophilic surface: 101.968
 
 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.