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PUBCHEM-ZINC02061733

 MMsINC code: MMs02867893
Type: Neutral
Formula: C13H11FO4S
SMILES:   S(Oc1ccc(OC)cc1)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C13H11FO4S/c1-17-11-4-6-12(7-5-11)18-19(15,16)13-8-2-10(14)3-9-13/h2-9H,1H3

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Potential Energy
Epot(MMFF94)=72.5632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.291 g/mol  logS: -3.82757  SlogP: 2.602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0793666  Sterimol/B1: 2.88076  Sterimol/B2: 2.93624  Sterimol/B3: 3.42774
  Sterimol/B4: 6.66173  Sterimol/L: 12.9609 
 
 Surface and Volume Properties
  Accessible surface: 456.938  Positive charged surface: 240.17  Negative charged surface: 216.769  Volume: 235.5
  Hydrophobic surface: 375.128  Hydrophilic surface: 81.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.