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APOLLO-ZINC02022420

 MMsINC code: MMs00050132
Type: Ionized
Formula: C6F5O3S-
SMILES:   S(=O)(=O)([O-])c1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C6HF5O3S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H,12,13,14)/p-1

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Potential Energy
Epot(MMFF94)=9.53617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.119 g/mol  logS: -2.98137  SlogP: 1.2862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519347  Sterimol/B1: 2.53105  Sterimol/B2: 3.24291  Sterimol/B3: 3.8862
  Sterimol/B4: 3.88721  Sterimol/L: 9.5521 
 
 Surface and Volume Properties
  Accessible surface: 326.386  Positive charged surface: 66.8036  Negative charged surface: 259.583  Volume: 136.125
  Hydrophobic surface: 215.905  Hydrophilic surface: 110.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 3  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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Parent related molecule:


MMs00050131
APOLLO-ZINC02022420