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CHEMBLOCK-ZINC01446198

 MMsINC code: MMs00528283
Type: Neutral
Formula: C21H20FNO2S
SMILES:   S(=O)(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C21H20FNO2S/c22-19-11-13-20(14-12-19)26(24,25)23-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,23H,15-16H2

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Potential Energy
Epot(MMFF94)=59.4361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.46 g/mol  logS: -5.19144  SlogP: 4.3262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138204  Sterimol/B1: 2.46935  Sterimol/B2: 3.49885  Sterimol/B3: 4.27121
  Sterimol/B4: 9.06568  Sterimol/L: 16.1138 
 
 Surface and Volume Properties
  Accessible surface: 621.797  Positive charged surface: 320.87  Negative charged surface: 300.927  Volume: 344.75
  Hydrophobic surface: 539.593  Hydrophilic surface: 82.204
 
 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.