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MAYBRIDGE-ZINC01024298

 MMsINC code: MMs02148040
Type: Neutral
Formula: C15H11F6NO2S
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C15H11F6NO2S/c16-14(17,18)11-6-12(15(19,20)21)8-13(7-11)25(23,24)22-9-10-4-2-1-3-5-10/h1-8,22H,9H2

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Potential Energy
Epot(MMFF94)=46.7755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.312 g/mol  logS: -5.10386  SlogP: 5.0921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134286  Sterimol/B1: 2.99647  Sterimol/B2: 4.49452  Sterimol/B3: 5.44727
  Sterimol/B4: 5.74887  Sterimol/L: 14.7886 
 
 Surface and Volume Properties
  Accessible surface: 555.964  Positive charged surface: 171.394  Negative charged surface: 384.57  Volume: 283.75
  Hydrophobic surface: 268.429  Hydrophilic surface: 287.535
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.