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NCID-ZINC01702364

 MMsINC code: MMs02331715
Type: Neutral
Formula: C8H10O6S4
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)

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Potential Energy
Epot(MMFF94)=-0.294902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.426 g/mol  logS: -3.5807  SlogP: 1.16  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949511  Sterimol/B1: 2.42622  Sterimol/B2: 3.34256  Sterimol/B3: 4.0617
  Sterimol/B4: 6.52567  Sterimol/L: 13.8314 
 
 Surface and Volume Properties
  Accessible surface: 454.953  Positive charged surface: 188.798  Negative charged surface: 266.154  Volume: 234.75
  Hydrophobic surface: 153.92  Hydrophilic surface: 301.033
 
 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


MMs02331716
NCID-ZINC01702364