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CHEMDIV-ZINC06938324

 MMsINC code: MMs01065410
Type: Neutral
Formula: C15H14F3N3OS
SMILES:   S(C)c1nc(C(F)(F)F)c(cn1)C(=O)Nc1cc(ccc1C)C
InChI:   InChI=1/C15H14F3N3OS/c1-8-4-5-9(2)11(6-8)20-13(22)10-7-19-14(23-3)21-12(10)15(16,17)18/h4-7H,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=86.0475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.357 g/mol  logS: -5.72473  SlogP: 4.39794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173005  Sterimol/B1: 2.34087  Sterimol/B2: 3.2286  Sterimol/B3: 3.69062
  Sterimol/B4: 7.20883  Sterimol/L: 16.1909 
 
 Surface and Volume Properties
  Accessible surface: 543.171  Positive charged surface: 276.769  Negative charged surface: 266.402  Volume: 287.375
  Hydrophobic surface: 366.778  Hydrophilic surface: 176.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.