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PUBCHEM-ZINC01129395

 MMsINC code: MMs02776040
Type: Neutral
Formula: C11H7BrF3NO2S2
SMILES:   Brc1sc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1
InChI:   InChI=1/C11H7BrF3NO2S2/c12-9-5-6-10(19-9)20(17,18)16-8-4-2-1-3-7(8)11(13,14)15/h1-6,16H

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Potential Energy
Epot(MMFF94)=51.2125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.212 g/mol  logS: -5.46993  SlogP: 4.6417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.331652  Sterimol/B1: 3.41291  Sterimol/B2: 3.85498  Sterimol/B3: 5.0345
  Sterimol/B4: 6.04672  Sterimol/L: 11.0592 
 
 Surface and Volume Properties
  Accessible surface: 478.055  Positive charged surface: 130.069  Negative charged surface: 347.986  Volume: 254.25
  Hydrophobic surface: 320.528  Hydrophilic surface: 157.527
 
 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.