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IFLAB-ZINC02685269

 MMsINC code: MMs01993163
Type: Neutral
Formula: C20H16N2O4S4
SMILES:   s1cccc1S(=O)(=O)Nc1ccc(cc1)-c1ccc(NS(=O)(=O)c2sccc2)cc1
InChI:   InChI=1/C20H16N2O4S4/c23-29(24,19-3-1-13-27-19)21-17-9-5-15(6-10-17)16-7-11-18(12-8-16)22-30(25,26)20-4-2-14-28-20/h1-14,21-22H

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Potential Energy
Epot(MMFF94)=89.1191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.622 g/mol  logS: -7.06496  SlogP: 5.0782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907947  Sterimol/B1: 2.83261  Sterimol/B2: 3.67863  Sterimol/B3: 4.04509
  Sterimol/B4: 6.74123  Sterimol/L: 17.9062 
 
 Surface and Volume Properties
  Accessible surface: 671.948  Positive charged surface: 265.219  Negative charged surface: 397.859  Volume: 388.875
  Hydrophobic surface: 506.97  Hydrophilic surface: 164.978
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.