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MDPI-ZINC03845657

 MMsINC code: MMs02178999
Type: Neutral
Formula: C12H10O8S2
SMILES:   S(O)(=O)(=O)c1cc(O)c(cc1)-c1ccc(S(O)(=O)=O)cc1O
InChI:   InChI=1/C12H10O8S2/c13-11-5-7(21(15,16)17)1-3-9(11)10-4-2-8(6-12(10)14)22(18,19)20/h1-6,13-14H,(H,15,16,17)(H,18,19,20)

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Potential Energy
Epot(MMFF94)=46.9096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.336 g/mol  logS: -3.1875  SlogP: 0.1268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715164  Sterimol/B1: 2.28087  Sterimol/B2: 3.01601  Sterimol/B3: 4.06008
  Sterimol/B4: 4.81156  Sterimol/L: 16.093 
 
 Surface and Volume Properties
  Accessible surface: 513.344  Positive charged surface: 225.508  Negative charged surface: 286.706  Volume: 251.875
  Hydrophobic surface: 192.366  Hydrophilic surface: 320.978
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  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


MMs02179000
MDPI-ZINC03845657