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ENAMINE-ZINC06505097

 MMsINC code: MMs01664121
Type: Neutral
Formula: C14H14F4N4OS
SMILES:   S(CC(=O)NCCc1ccc(F)cc1)c1nnc(n1C)C(F)(F)F
InChI:   InChI=1/C14H14F4N4OS/c1-22-12(14(16,17)18)20-21-13(22)24-8-11(23)19-7-6-9-2-4-10(15)5-3-9/h2-5H,6-8H2,1H3,(H,19,23)

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Potential Energy
Epot(MMFF94)=48.7271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.351 g/mol  logS: -4.68582  SlogP: 3.09467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311525  Sterimol/B1: 2.09267  Sterimol/B2: 3.61846  Sterimol/B3: 3.62413
  Sterimol/B4: 5.36163  Sterimol/L: 19.7705 
 
 Surface and Volume Properties
  Accessible surface: 582.014  Positive charged surface: 292.958  Negative charged surface: 289.056  Volume: 295.75
  Hydrophobic surface: 358.223  Hydrophilic surface: 223.791
 
 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.