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PUBCHEM-ZINC02159996

 MMsINC code: MMs02877778
Type: Neutral
Formula: C8H7Cl3O3S
SMILES:   ClC(Cl)(Cl)COS(=O)(=O)c1ccccc1
InChI:   InChI=1/C8H7Cl3O3S/c9-8(10,11)6-14-15(12,13)7-4-2-1-3-5-7/h1-5H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.8189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.566 g/mol  logS: -4.18789  SlogP: 3.182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180046  Sterimol/B1: 3.46949  Sterimol/B2: 4.15054  Sterimol/B3: 4.51817
  Sterimol/B4: 5.26734  Sterimol/L: 12.2153 
 
 Surface and Volume Properties
  Accessible surface: 433.233  Positive charged surface: 111.597  Negative charged surface: 321.636  Volume: 211.125
  Hydrophobic surface: 189.781  Hydrophilic surface: 243.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.