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NCID-ZINC01669723

 MMsINC code: MMs02305776
Type: Neutral
Formula: C10H8O6S2
SMILES:   S(O)(=O)(=O)c1cc2c(cc(S(O)(=O)=O)cc2)cc1
InChI:   InChI=1/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)

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Potential Energy
Epot(MMFF94)=23.1268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.3 g/mol  logS: -3.3629  SlogP: 0.2018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308568  Sterimol/B1: 2.50743  Sterimol/B2: 2.84716  Sterimol/B3: 2.85999
  Sterimol/B4: 5.95778  Sterimol/L: 14.0461 
 
 Surface and Volume Properties
  Accessible surface: 438.751  Positive charged surface: 157.135  Negative charged surface: 270.545  Volume: 211.375
  Hydrophobic surface: 197.917  Hydrophilic surface: 240.834
 
 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


MMs02305777
NCID-ZINC01669723