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MAYBRIDGE-ZINC00120333

 MMsINC code: MMs02135146
Type: Neutral
Formula: C14H9F3OS
SMILES:   S(C(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1
InChI:   InChI=1/C14H9F3OS/c15-14(16,17)11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12/h1-9H

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Potential Energy
Epot(MMFF94)=67.1735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.285 g/mol  logS: -5.61804  SlogP: 4.9494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602883  Sterimol/B1: 3.32828  Sterimol/B2: 3.56036  Sterimol/B3: 3.59275
  Sterimol/B4: 3.91245  Sterimol/L: 15.3648 
 
 Surface and Volume Properties
  Accessible surface: 476.46  Positive charged surface: 186.138  Negative charged surface: 290.323  Volume: 234.375
  Hydrophobic surface: 319.515  Hydrophilic surface: 156.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.