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APOLLO-ZINC02022420

 MMsINC code: MMs00050131
Type: Neutral
Formula: C6HF5O3S
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)

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Potential Energy
Epot(MMFF94)=-6.97715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.127 g/mol  logS: -2.90985  SlogP: 1.0631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454101  Sterimol/B1: 2.41656  Sterimol/B2: 3.3873  Sterimol/B3: 3.84168
  Sterimol/B4: 4.21551  Sterimol/L: 10.2428 
 
 Surface and Volume Properties
  Accessible surface: 330.79  Positive charged surface: 92.8384  Negative charged surface: 237.952  Volume: 139.375
  Hydrophobic surface: 215.037  Hydrophilic surface: 115.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00050132
APOLLO-ZINC02022420