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PUBCHEM-ZINC05845682

 MMsINC code: MMs03413439
Type: Ionized
Formula: C14H8O6S2-2
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)/p-2

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Potential Energy
Epot(MMFF94)=69.8904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.344 g/mol  logS: -5.38382  SlogP: 1.8012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224015  Sterimol/B1: 2.56666  Sterimol/B2: 3.04802  Sterimol/B3: 3.04908
  Sterimol/B4: 6.93257  Sterimol/L: 13.9289 
 
 Surface and Volume Properties
  Accessible surface: 477.754  Positive charged surface: 130.698  Negative charged surface: 325.916  Volume: 256.625
  Hydrophobic surface: 268.421  Hydrophilic surface: 209.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  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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MMs03413438
PUBCHEM-ZINC05845682