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ASINEX-ZINC02507827

 MMsINC code: MMs00274083
Type: Ionized
Formula: C13H8O6S2-2
SMILES:   S(=O)(=O)([O-])c1cc2Cc3cc(S(=O)(=O)[O-])ccc3-c2cc1
InChI:   InChI=1/C13H10O6S2/c14-20(15,16)10-1-3-12-8(6-10)5-9-7-11(21(17,18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H,14,15,16)(H,17,18,19)/p-2

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Potential Energy
Epot(MMFF94)=71.4924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.333 g/mol  logS: -4.52532  SlogP: 1.06597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222893  Sterimol/B1: 2.81941  Sterimol/B2: 3.22283  Sterimol/B3: 3.2353
  Sterimol/B4: 5.14128  Sterimol/L: 15.1893 
 
 Surface and Volume Properties
  Accessible surface: 476.559  Positive charged surface: 143.977  Negative charged surface: 320.786  Volume: 242.875
  Hydrophobic surface: 248.266  Hydrophilic surface: 228.293
 
 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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Parent related molecule:


MMs00274082
ASINEX-ZINC02507827