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CHEMBLOCK-ZINC03620924

 MMsINC code: MMs00538202
Type: Neutral
Formula: C18H22F6O2S
SMILES:   S(C(=O)C(C(F)(F)F)C(F)(F)F)c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C
InChI:   InChI=1/C18H22F6O2S/c1-15(2,3)10-7-9(8-11(12(10)25)16(4,5)6)27-14(26)13(17(19,20)21)18(22,23)24/h7-8,13,25H,1-6H3

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Potential Energy
Epot(MMFF94)=60.4017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.426 g/mol  logS: -7.76636  SlogP: 7.1865  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.130116  Sterimol/B1: 2.51252  Sterimol/B2: 3.51983  Sterimol/B3: 3.90406
  Sterimol/B4: 9.47085  Sterimol/L: 14.0621 
 
 Surface and Volume Properties
  Accessible surface: 600.265  Positive charged surface: 282.356  Negative charged surface: 317.909  Volume: 341.75
  Hydrophobic surface: 272.575  Hydrophilic surface: 327.69
 
 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.