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ASINEX-ZINC00793392

 MMsINC code: MMs00165828
Type: Neutral
Formula: C20H15NO4S2
SMILES:   s1cccc1S(=O)(=O)Nc1cc(-c2c3c(ccc2O)cccc3)c(O)cc1
InChI:   InChI=1/C20H15NO4S2/c22-17-10-8-14(21-27(24,25)19-6-3-11-26-19)12-16(17)20-15-5-2-1-4-13(15)7-9-18(20)23/h1-12,21-23H

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Potential Energy
Epot(MMFF94)=91.4317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.475 g/mol  logS: -6.59209  SlogP: 4.7803  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133138  Sterimol/B1: 3.38551  Sterimol/B2: 3.48138  Sterimol/B3: 5.37928
  Sterimol/B4: 6.41703  Sterimol/L: 14.797 
 
 Surface and Volume Properties
  Accessible surface: 595.117  Positive charged surface: 287.769  Negative charged surface: 299.069  Volume: 344.5
  Hydrophobic surface: 441.013  Hydrophilic surface: 154.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.