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NCID-ZINC01737159

 MMsINC code: MMs02358237
Type: Neutral
Formula: C12H8F2O4S
SMILES:   S(=O)(=O)(c1cc(F)c(O)cc1)c1cc(F)c(O)cc1
InChI:   InChI=1/C12H8F2O4S/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h1-6,15-16H

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Potential Energy
Epot(MMFF94)=58.449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.254 g/mol  logS: -3.21549  SlogP: 2.2088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130248  Sterimol/B1: 2.60861  Sterimol/B2: 3.81582  Sterimol/B3: 3.94507
  Sterimol/B4: 5.04965  Sterimol/L: 13.7772 
 
 Surface and Volume Properties
  Accessible surface: 442.768  Positive charged surface: 192.548  Negative charged surface: 250.219  Volume: 219.375
  Hydrophobic surface: 285.826  Hydrophilic surface: 156.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.