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NCID-ZINC01760567

 MMsINC code: MMs02367056
Type: Neutral
Formula: C8H7Cl3O3S2
SMILES:   ClC(Cl)(Cl)SS(=O)(=O)c1ccccc1OC
InChI:   InChI=1/C8H7Cl3O3S2/c1-14-6-4-2-3-5-7(6)16(12,13)15-8(9,10)11/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.3501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.632 g/mol  logS: -5.14347  SlogP: 3.8647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168138  Sterimol/B1: 2.56101  Sterimol/B2: 3.54883  Sterimol/B3: 4.73754
  Sterimol/B4: 6.83923  Sterimol/L: 11.9955 
 
 Surface and Volume Properties
  Accessible surface: 440.76  Positive charged surface: 155.863  Negative charged surface: 284.896  Volume: 228.25
  Hydrophobic surface: 206.893  Hydrophilic surface: 233.867
 
 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.