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ASINEX-ZINC04849245

 MMsINC code: MMs00379635
Type: Neutral
Formula: C20H17F3N2OS
SMILES:   S(CC(=O)Nc1ccccc1C(F)(F)F)c1nc2c(cc1CC)cccc2
InChI:   InChI=1/C20H17F3N2OS/c1-2-13-11-14-7-3-5-9-16(14)25-19(13)27-12-18(26)24-17-10-6-4-8-15(17)20(21,22)23/h3-11H,2,12H2,1H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=97.4472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.429 g/mol  logS: -7.03475  SlogP: 5.85827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197053  Sterimol/B1: 2.1581  Sterimol/B2: 2.54951  Sterimol/B3: 3.70159
  Sterimol/B4: 9.47535  Sterimol/L: 17.6715 
 
 Surface and Volume Properties
  Accessible surface: 631.724  Positive charged surface: 311.998  Negative charged surface: 313.483  Volume: 340.375
  Hydrophobic surface: 447.49  Hydrophilic surface: 184.234
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.