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PUBCHEM-ZINC01127655

 MMsINC code: MMs02775704
Type: Neutral
Formula: C14H10ClF4NO2S
SMILES:   Clc1ccccc1CS(=O)(=O)Nc1cc(C(F)(F)F)c(F)cc1
InChI:   InChI=1/C14H10ClF4NO2S/c15-12-4-2-1-3-9(12)8-23(21,22)20-10-5-6-13(16)11(7-10)14(17,18)19/h1-7,20H,8H2

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Potential Energy
Epot(MMFF94)=53.0513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.75 g/mol  logS: -5.07658  SlogP: 5.0177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994381  Sterimol/B1: 2.93038  Sterimol/B2: 3.52395  Sterimol/B3: 4.47116
  Sterimol/B4: 5.13369  Sterimol/L: 15.3701 
 
 Surface and Volume Properties
  Accessible surface: 509.846  Positive charged surface: 187.77  Negative charged surface: 322.077  Volume: 274.375
  Hydrophobic surface: 337.007  Hydrophilic surface: 172.839
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.