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MAYBRIDGE-ZINC01703758

 MMsINC code: MMs02158027
Type: Neutral
Formula: C13H12O6S2
SMILES:   S(Oc1ccccc1)(=O)(=O)CS(Oc1ccccc1)(=O)=O
InChI:   InChI=1/C13H12O6S2/c14-20(15,18-12-7-3-1-4-8-12)11-21(16,17)19-13-9-5-2-6-10-13/h1-10H,11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.7557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.365 g/mol  logS: -3.43166  SlogP: 1.7615  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0708657  Sterimol/B1: 2.99084  Sterimol/B2: 3.08836  Sterimol/B3: 4.48511
  Sterimol/B4: 5.31331  Sterimol/L: 15.2366 
 
 Surface and Volume Properties
  Accessible surface: 504.77  Positive charged surface: 213.057  Negative charged surface: 291.714  Volume: 258.875
  Hydrophobic surface: 364.433  Hydrophilic surface: 140.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.