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NCID-ZINC01683520

 MMsINC code: MMs02317134
Type: Neutral
Formula: C12H10O4S2
SMILES:   S(S(=O)c1ccccc1O)(=O)c1ccccc1O
InChI:   InChI=1/C12H10O4S2/c13-9-5-1-3-7-11(9)17(15)18(16)12-8-4-2-6-10(12)14/h1-8,13-14H/t17-,18+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.6183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -3.14758  SlogP: 1.9282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0849419  Sterimol/B1: 3.3646  Sterimol/B2: 3.5776  Sterimol/B3: 3.88161
  Sterimol/B4: 4.34765  Sterimol/L: 14.7282 
 
 Surface and Volume Properties
  Accessible surface: 466.295  Positive charged surface: 244.379  Negative charged surface: 221.916  Volume: 232
  Hydrophobic surface: 313.89  Hydrophilic surface: 152.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.