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PUBCHEM-ZINC05996485

 MMsINC code: MMs03480506
Type: Neutral
Formula: C7H6Cl3NO2S
SMILES:   Clc1cc(Cl)c(Cl)cc1S(=O)(=O)NC
InChI:   InChI=1/C7H6Cl3NO2S/c1-11-14(12,13)7-3-5(9)4(8)2-6(7)10/h2-3,11H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.1012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.555 g/mol  logS: -3.42573  SlogP: 2.5549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195077  Sterimol/B1: 2.13543  Sterimol/B2: 4.10509  Sterimol/B3: 5.1583
  Sterimol/B4: 5.2506  Sterimol/L: 11.2615 
 
 Surface and Volume Properties
  Accessible surface: 398.424  Positive charged surface: 141.184  Negative charged surface: 257.24  Volume: 195.375
  Hydrophobic surface: 319.337  Hydrophilic surface: 79.087
 
 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.