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ENAMINE-ZINC03398213

 MMsINC code: MMs01418379
Type: Neutral
Formula: C17H18F3NO2S
SMILES:   S(=O)(=O)(NCCc1ccc(cc1)C(F)(F)F)c1ccc(cc1C)C
InChI:   InChI=1/C17H18F3NO2S/c1-12-3-8-16(13(2)11-12)24(22,23)21-10-9-14-4-6-15(7-5-14)17(18,19)20/h3-8,11,21H,9-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=54.1509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.396 g/mol  logS: -4.74317  SlogP: 4.15471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120559  Sterimol/B1: 2.18695  Sterimol/B2: 3.89011  Sterimol/B3: 4.40475
  Sterimol/B4: 8.08367  Sterimol/L: 15.515 
 
 Surface and Volume Properties
  Accessible surface: 578.05  Positive charged surface: 268.886  Negative charged surface: 309.164  Volume: 309.25
  Hydrophobic surface: 402.135  Hydrophilic surface: 175.915
 
 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.