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ASINEX-ZINC04891258

 MMsINC code: MMs00395846
Type: Neutral
Formula: C10H12O6S2
SMILES:   S(OC1CS(=O)(=O)CC1O)(=O)(=O)c1ccccc1
InChI:   InChI=1/C10H12O6S2/c11-9-6-17(12,13)7-10(9)16-18(14,15)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=45.639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.332 g/mol  logS: -1.8376  SlogP: -0.4502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195939  Sterimol/B1: 2.62868  Sterimol/B2: 3.83036  Sterimol/B3: 4.19653
  Sterimol/B4: 6.13791  Sterimol/L: 12.9104 
 
 Surface and Volume Properties
  Accessible surface: 450.443  Positive charged surface: 203.354  Negative charged surface: 247.089  Volume: 224.5
  Hydrophobic surface: 265.083  Hydrophilic surface: 185.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.