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NCID-ZINC01764634

 MMsINC code: MMs02369084
Type: Neutral
Formula: C15H16O6S2
SMILES:   S(Oc1ccccc1)(=O)(=O)C(S(Oc1ccccc1)(=O)=O)(C)C
InChI:   InChI=1/C15H16O6S2/c1-15(2,22(16,17)20-13-9-5-3-6-10-13)23(18,19)21-14-11-7-4-8-12-14/h3-12H,1-2H3

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Potential Energy
Epot(MMFF94)=51.8143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.419 g/mol  logS: -4.43654  SlogP: 2.5401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0720006  Sterimol/B1: 2.16288  Sterimol/B2: 2.77078  Sterimol/B3: 4.74448
  Sterimol/B4: 4.98397  Sterimol/L: 17.6254 
 
 Surface and Volume Properties
  Accessible surface: 552.264  Positive charged surface: 282.282  Negative charged surface: 269.982  Volume: 297.375
  Hydrophobic surface: 440.492  Hydrophilic surface: 111.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.