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PUBCHEM-ZINC05845682

 MMsINC code: MMs03413438
Type: Neutral
Formula: C14H10O6S2
SMILES:   S(O)(=O)(=O)c1c2c(cc3c(c2)cccc3S(O)(=O)=O)ccc1
InChI:   InChI=1/C14H10O6S2/c15-21(16,17)13-5-1-3-9-7-12-10(8-11(9)13)4-2-6-14(12)22(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)

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Potential Energy
Epot(MMFF94)=60.0191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.36 g/mol  logS: -5.24078  SlogP: 1.355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217948  Sterimol/B1: 2.44643  Sterimol/B2: 2.62012  Sterimol/B3: 3.16476
  Sterimol/B4: 7.59886  Sterimol/L: 14.122 
 
 Surface and Volume Properties
  Accessible surface: 487.145  Positive charged surface: 180.258  Negative charged surface: 284.745  Volume: 257.75
  Hydrophobic surface: 265.652  Hydrophilic surface: 221.493
 
 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


MMs03413439
PUBCHEM-ZINC05845682