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PUBCHEM-ZINC02166287

 MMsINC code: MMs02878950
Type: Neutral
Formula: C14H10Cl2O4S2
SMILES:   Cl\C(\S(=O)(=O)c1ccccc1)=C(/Cl)\S(=O)(=O)c1ccccc1
InChI:   InChI=1/C14H10Cl2O4S2/c15-13(21(17,18)11-7-3-1-4-8-11)14(16)22(19,20)12-9-5-2-6-10-12/h1-10H/b14-13+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.268 g/mol  logS: -5.74  SlogP: 3.7562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153297  Sterimol/B1: 2.45502  Sterimol/B2: 4.0509  Sterimol/B3: 4.13628
  Sterimol/B4: 6.81191  Sterimol/L: 12.9206 
 
 Surface and Volume Properties
  Accessible surface: 523.058  Positive charged surface: 191.516  Negative charged surface: 331.542  Volume: 289
  Hydrophobic surface: 424.616  Hydrophilic surface: 98.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.