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NCID-ZINC01666941

 MMsINC code: MMs02303075
Type: Neutral
Formula: C10H14O5S2
SMILES:   S(=O)(=O)(CCCCS(O)(=O)=O)c1ccccc1
InChI:   InChI=1/C10H14O5S2/c11-16(12,10-6-2-1-3-7-10)8-4-5-9-17(13,14)15/h1-3,6-7H,4-5,8-9H2,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=21.2097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.349 g/mol  logS: -1.94966  SlogP: 0.5626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703793  Sterimol/B1: 2.45233  Sterimol/B2: 3.6173  Sterimol/B3: 3.62087
  Sterimol/B4: 4.84489  Sterimol/L: 16.1196 
 
 Surface and Volume Properties
  Accessible surface: 478.929  Positive charged surface: 234.359  Negative charged surface: 244.57  Volume: 227.875
  Hydrophobic surface: 299.959  Hydrophilic surface: 178.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs02303076
NCID-ZINC01666941