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PUBCHEM-ZINC00453494

 MMsINC code: MMs02686732
Type: Neutral
Formula: C8H7ClF3NO2S
SMILES:   Clc1ccc(NS(=O)(=O)C)cc1C(F)(F)F
InChI:   InChI=1/C8H7ClF3NO2S/c1-16(14,15)13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3

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Potential Energy
Epot(MMFF94)=29.2279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.662 g/mol  logS: -3.0137  SlogP: 3.0418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147236  Sterimol/B1: 2.04096  Sterimol/B2: 3.36317  Sterimol/B3: 4.46046
  Sterimol/B4: 5.09852  Sterimol/L: 11.4703 
 
 Surface and Volume Properties
  Accessible surface: 402.936  Positive charged surface: 132.029  Negative charged surface: 270.907  Volume: 191.125
  Hydrophobic surface: 219.058  Hydrophilic surface: 183.878
 
 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.