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KEYORGANICS-ZINC04060688

 MMsINC code: MMs02120713
Type: Neutral
Formula: C19H15FO3S
SMILES:   S(Oc1cc(F)c(cc1)-c1ccccc1)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C19H15FO3S/c1-14-7-10-17(11-8-14)24(21,22)23-16-9-12-18(19(20)13-16)15-5-3-2-4-6-15/h2-13H,1H3

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Potential Energy
Epot(MMFF94)=87.2298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.39 g/mol  logS: -6.67749  SlogP: 4.56882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765167  Sterimol/B1: 2.24185  Sterimol/B2: 3.46016  Sterimol/B3: 3.89188
  Sterimol/B4: 8.21995  Sterimol/L: 15.3913 
 
 Surface and Volume Properties
  Accessible surface: 556.831  Positive charged surface: 269.814  Negative charged surface: 283.15  Volume: 307.625
  Hydrophobic surface: 486.188  Hydrophilic surface: 70.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.