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NCID-ZINC01668505

 MMsINC code: MMs02304585
Type: Neutral
Formula: C6H4Cl3NO2S
SMILES:   Clc1ccc(S(=O)(=O)N(Cl)Cl)cc1
InChI:   InChI=1/C6H4Cl3NO2S/c7-5-1-3-6(4-2-5)13(11,12)10(8)9/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.4082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.528 g/mol  logS: -3.8882  SlogP: 2.6383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118656  Sterimol/B1: 2.42099  Sterimol/B2: 2.93412  Sterimol/B3: 3.72955
  Sterimol/B4: 4.81662  Sterimol/L: 11.4394 
 
 Surface and Volume Properties
  Accessible surface: 385.993  Positive charged surface: 201.389  Negative charged surface: 184.604  Volume: 183.25
  Hydrophobic surface: 327.286  Hydrophilic surface: 58.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.