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PUBCHEM-ZINC02151715

 MMsINC code: MMs02877098
Type: Neutral
Formula: C14H6Cl3F6NO2S
SMILES:   Clc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C14H6Cl3F6NO2S/c15-9-4-11(17)12(5-10(9)16)24-27(25,26)8-2-6(13(18,19)20)1-7(3-8)14(21,22)23/h1-5,24H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.7793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.62 g/mol  logS: -7.36269  SlogP: 7.1082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241086  Sterimol/B1: 3.90309  Sterimol/B2: 4.14194  Sterimol/B3: 4.99462
  Sterimol/B4: 5.80984  Sterimol/L: 13.1951 
 
 Surface and Volume Properties
  Accessible surface: 554.344  Positive charged surface: 84.4106  Negative charged surface: 469.933  Volume: 309
  Hydrophobic surface: 284.254  Hydrophilic surface: 270.09
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.