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PUBCHEM-ZINC02577045

 MMsINC code: MMs02903683
Type: Ionized
Formula: C10H6O6S2-2
SMILES:   S(=O)(=O)([O-])c1c2cc(S(=O)(=O)[O-])ccc2ccc1
InChI:   InChI=1/C10H8O6S2/c11-17(12,13)8-5-4-7-2-1-3-10(9(7)6-8)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.1154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.284 g/mol  logS: -3.50594  SlogP: 0.648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0408427  Sterimol/B1: 3.05251  Sterimol/B2: 3.17871  Sterimol/B3: 3.22981
  Sterimol/B4: 6.12072  Sterimol/L: 11.731 
 
 Surface and Volume Properties
  Accessible surface: 419.088  Positive charged surface: 102.217  Negative charged surface: 306.302  Volume: 207.5
  Hydrophobic surface: 200.78  Hydrophilic surface: 218.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  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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Parent related molecule:


MMs02903682
PUBCHEM-ZINC02577045