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PUBCHEM-ZINC06225703

 MMsINC code: MMs03620730
Type: Neutral
Formula: C11H8Cl2N2O2S2
SMILES:   Clc1ccc(S(=O)(=O)N\N=C\c2sc(Cl)cc2)cc1
InChI:   InChI=1/C11H8Cl2N2O2S2/c12-8-1-4-10(5-2-8)19(16,17)15-14-7-9-3-6-11(13)18-9/h1-7,15H/b14-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.6333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.235 g/mol  logS: -5.09915  SlogP: 3.3673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0954022  Sterimol/B1: 2.83814  Sterimol/B2: 4.30839  Sterimol/B3: 4.905
  Sterimol/B4: 5.87748  Sterimol/L: 13.7552 
 
 Surface and Volume Properties
  Accessible surface: 519.554  Positive charged surface: 176.364  Negative charged surface: 343.19  Volume: 257.75
  Hydrophobic surface: 409.464  Hydrophilic surface: 110.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.