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APOLLO-ZINC04100508

 MMsINC code: MMs00056782
Type: Neutral
Formula: C16H7F5O3S
SMILES:   S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C16H7F5O3S/c17-11-12(18)14(20)16(15(21)13(11)19)24-25(22,23)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

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Potential Energy
Epot(MMFF94)=89.8608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.285 g/mol  logS: -6.83499  SlogP: 4.303  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212834  Sterimol/B1: 3.15937  Sterimol/B2: 3.37977  Sterimol/B3: 6.16506
  Sterimol/B4: 6.4202  Sterimol/L: 12.3616 
 
 Surface and Volume Properties
  Accessible surface: 492.74  Positive charged surface: 177.177  Negative charged surface: 305.594  Volume: 268.625
  Hydrophobic surface: 434.222  Hydrophilic surface: 58.518
 
 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.