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OTAVA-ZINC01926206

 MMsINC code: MMs02568181
Type: Neutral
Formula: C7H5FO5S
SMILES:   S(O)(=O)(=O)c1cc(C(O)=O)c(F)cc1
InChI:   InChI=1/C7H5FO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13)

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Potential Energy
Epot(MMFF94)=15.4653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.176 g/mol  logS: -1.69933  SlogP: 0.2049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415857  Sterimol/B1: 2.64073  Sterimol/B2: 2.95288  Sterimol/B3: 3.20651
  Sterimol/B4: 5.40126  Sterimol/L: 10.7181 
 
 Surface and Volume Properties
  Accessible surface: 354.116  Positive charged surface: 147.267  Negative charged surface: 206.849  Volume: 155.875
  Hydrophobic surface: 141.605  Hydrophilic surface: 212.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02568182
OTAVA-ZINC01926206