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APOLLO-ZINC01048215

 MMsINC code: MMs00049031
Type: Ionized
Formula: C8H4F6NO2S-
SMILES:   S(=O)([O-])(=[NH])c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C8H4F6NO2S/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h1-3H,(H-,15,16,17)/q-1

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Potential Energy
Epot(MMFF94)=40.8045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.179 g/mol  logS: -3.74898  SlogP: 3.3188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111608  Sterimol/B1: 2.96842  Sterimol/B2: 3.19512  Sterimol/B3: 4.8869
  Sterimol/B4: 5.09743  Sterimol/L: 10.2456 
 
 Surface and Volume Properties
  Accessible surface: 402.596  Positive charged surface: 62.7958  Negative charged surface: 339.8  Volume: 184
  Hydrophobic surface: 94.693  Hydrophilic surface: 307.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs00049030
APOLLO-ZINC01048215