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ASINEX-ZINC00036686

 MMsINC code: MMs00061728
Type: Neutral
Formula: C12H10O4S
SMILES:   S(=O)(=O)(c1cc(O)ccc1O)c1ccccc1
InChI:   InChI=1/C12H10O4S/c13-9-6-7-11(14)12(8-9)17(15,16)10-4-2-1-3-5-10/h1-8,13-14H

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Potential Energy
Epot(MMFF94)=54.4819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.274 g/mol  logS: -2.62553  SlogP: 1.9306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133917  Sterimol/B1: 2.10989  Sterimol/B2: 3.75862  Sterimol/B3: 4.26239
  Sterimol/B4: 5.42729  Sterimol/L: 12.4851 
 
 Surface and Volume Properties
  Accessible surface: 427.147  Positive charged surface: 205.199  Negative charged surface: 221.948  Volume: 212.75
  Hydrophobic surface: 295.139  Hydrophilic surface: 132.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.