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NCID-ZINC01561847

 MMsINC code: MMs02223945
Type: Neutral
Formula: C12H10O6S3
SMILES:   S(c1ccc(S(O)(=O)=O)cc1)c1ccc(S(O)(=O)=O)cc1
InChI:   InChI=1/C12H10O6S3/c13-20(14,15)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)

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Potential Energy
Epot(MMFF94)=33.9953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.404 g/mol  logS: -4.33028  SlogP: 1.1998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698453  Sterimol/B1: 3.33972  Sterimol/B2: 3.93809  Sterimol/B3: 4.37129
  Sterimol/B4: 4.62587  Sterimol/L: 16.1421 
 
 Surface and Volume Properties
  Accessible surface: 517.505  Positive charged surface: 199.282  Negative charged surface: 318.223  Volume: 260.375
  Hydrophobic surface: 240.961  Hydrophilic surface: 276.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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


MMs02223946
NCID-ZINC01561847