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PUBCHEM-ZINC02158021

 MMsINC code: MMs02877628
Type: Neutral
Formula: C14H7Cl2F6NO2S
SMILES:   Clc1cc(S(=O)(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1Cl
InChI:   InChI=1/C14H7Cl2F6NO2S/c15-11-2-1-10(6-12(11)16)26(24,25)23-9-4-7(13(17,18)19)3-8(5-9)14(20,21)22/h1-6,23H

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Potential Energy
Epot(MMFF94)=61.9029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.175 g/mol  logS: -6.6284  SlogP: 6.4548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22199  Sterimol/B1: 2.98588  Sterimol/B2: 4.38801  Sterimol/B3: 5.15988
  Sterimol/B4: 5.66476  Sterimol/L: 13.769 
 
 Surface and Volume Properties
  Accessible surface: 546.769  Positive charged surface: 118.987  Negative charged surface: 427.782  Volume: 296.375
  Hydrophobic surface: 265.614  Hydrophilic surface: 281.155
 
 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.