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PUBCHEM-ZINC05133016

 MMsINC code: MMs03207955
Type: Ionized
Formula: C6H3O6S3-3
SMILES:   S1C(SC(SC1C(=O)[O-])C(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C6H6O6S3/c7-1(8)4-13-5(2(9)10)15-6(14-4)3(11)12/h4-6H,(H,7,8)(H,9,10)(H,11,12)/p-3/t4-,5-,6-

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Potential Energy
Epot(MMFF94)=129.932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.282 g/mol  logS: -3.12608  SlogP: -3.5724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244821  Sterimol/B1: 2.409  Sterimol/B2: 3.83205  Sterimol/B3: 4.22295
  Sterimol/B4: 5.5889  Sterimol/L: 10.2409 
 
 Surface and Volume Properties
  Accessible surface: 375.383  Positive charged surface: 79.6425  Negative charged surface: 295.741  Volume: 181.75
  Hydrophobic surface: 31.5128  Hydrophilic surface: 343.8702
 
 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:


MMs03207954
PUBCHEM-ZINC05133016