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ENAMINE-ZINC03389547

 MMsINC code: MMs01412853
Type: Neutral
Formula: C11H14F3NO3S
SMILES:   S(=O)(=O)(NCCCOC)c1ccccc1C(F)(F)F
InChI:   InChI=1/C11H14F3NO3S/c1-18-8-4-7-15-19(16,17)10-6-3-2-5-9(10)11(12,13)14/h2-3,5-6,15H,4,7-8H2,1H3

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Potential Energy
Epot(MMFF94)=23.8468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.297 g/mol  logS: -2.62382  SlogP: 2.3317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139522  Sterimol/B1: 3.29789  Sterimol/B2: 3.85708  Sterimol/B3: 4.98988
  Sterimol/B4: 5.28429  Sterimol/L: 13.8978 
 
 Surface and Volume Properties
  Accessible surface: 476.582  Positive charged surface: 274.958  Negative charged surface: 201.624  Volume: 235.625
  Hydrophobic surface: 325.897  Hydrophilic surface: 150.685
 
 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.