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APOLLO-ZINC04100460

 MMsINC code: MMs00056763
Type: Neutral
Formula: C13H7F5O3S
SMILES:   S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)(=O)c1cc(ccc1)C
InChI:   InChI=1/C13H7F5O3S/c1-6-3-2-4-7(5-6)22(19,20)21-13-11(17)9(15)8(14)10(16)12(13)18/h2-5H,1H3

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Potential Energy
Epot(MMFF94)=64.0875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.252 g/mol  logS: -5.43103  SlogP: 3.45822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132215  Sterimol/B1: 2.08182  Sterimol/B2: 2.73034  Sterimol/B3: 4.20259
  Sterimol/B4: 7.72456  Sterimol/L: 12.143 
 
 Surface and Volume Properties
  Accessible surface: 454.152  Positive charged surface: 167.224  Negative charged surface: 286.928  Volume: 236.5
  Hydrophobic surface: 383.525  Hydrophilic surface: 70.627
 
 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.