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ASINEX-ZINC00174005

 MMsINC code: MMs00084304
Type: Neutral
Formula: C12H15F3N2O3S
SMILES:   S(=O)(=O)(N(CC)CC)c1ccc(NC(=O)C(F)(F)F)cc1
InChI:   InChI=1/C12H15F3N2O3S/c1-3-17(4-2)21(19,20)10-7-5-9(6-8-10)16-11(18)12(13,14)15/h5-8H,3-4H2,1-2H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=66.8575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.323 g/mol  logS: -3.23794  SlogP: 2.6378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799004  Sterimol/B1: 2.42398  Sterimol/B2: 2.49472  Sterimol/B3: 5.29888
  Sterimol/B4: 6.02639  Sterimol/L: 15.0578 
 
 Surface and Volume Properties
  Accessible surface: 503.215  Positive charged surface: 238.44  Negative charged surface: 264.775  Volume: 262.5
  Hydrophobic surface: 254.455  Hydrophilic surface: 248.76
 
 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.