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NCID-ZINC01702364

 MMsINC code: MMs02331716
Type: Ionized
Formula: C8H8O6S4-2
SMILES:   S(S(=O)(=O)[O-])Cc1ccccc1CSS(=O)(=O)[O-]
InChI:   InChI=1/C8H10O6S4/c9-17(10,11)15-5-7-3-1-2-4-8(7)6-16-18(12,13)14/h1-4H,5-6H2,(H,9,10,11)(H,12,13,14)/p-2

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Potential Energy
Epot(MMFF94)=7.01002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.41 g/mol  logS: -3.72374  SlogP: 1.6062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0756823  Sterimol/B1: 2.42331  Sterimol/B2: 3.10786  Sterimol/B3: 3.56652
  Sterimol/B4: 6.88306  Sterimol/L: 13.7423 
 
 Surface and Volume Properties
  Accessible surface: 462.144  Positive charged surface: 123.802  Negative charged surface: 338.342  Volume: 231.875
  Hydrophobic surface: 164.66  Hydrophilic surface: 297.484
 
 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:


MMs02331715
NCID-ZINC01702364