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PUBCHEM-ZINC02905294

 MMsINC code: MMs02957060
Type: Neutral
Formula: C12H6F5NO2S
SMILES:   S(=O)(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChI:   InChI=1/C12H6F5NO2S/c13-7-8(14)10(16)12(11(17)9(7)15)18-21(19,20)6-4-2-1-3-5-6/h1-5,18H

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Potential Energy
Epot(MMFF94)=45.6704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.241 g/mol  logS: -4.52162  SlogP: 3.1829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236375  Sterimol/B1: 2.37708  Sterimol/B2: 3.37093  Sterimol/B3: 4.31755
  Sterimol/B4: 6.61283  Sterimol/L: 11.6141 
 
 Surface and Volume Properties
  Accessible surface: 442.621  Positive charged surface: 167.309  Negative charged surface: 275.312  Volume: 227.5
  Hydrophobic surface: 365.115  Hydrophilic surface: 77.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.