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IFLAB-ZINC02699738

 MMsINC code: MMs01995866
Type: Neutral
Formula: C18H16N2O5S3
SMILES:   s1cccc1C(=O)C(NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
InChI:   InChI=1/C18H16N2O5S3/c21-17(16-12-7-13-26-16)18(19-27(22,23)14-8-3-1-4-9-14)20-28(24,25)15-10-5-2-6-11-15/h1-13,18-20H

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Potential Energy
Epot(MMFF94)=15.4802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.533 g/mol  logS: -4.64183  SlogP: 2.2139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142169  Sterimol/B1: 3.60716  Sterimol/B2: 4.50738  Sterimol/B3: 4.66589
  Sterimol/B4: 6.42693  Sterimol/L: 14.4204 
 
 Surface and Volume Properties
  Accessible surface: 587.756  Positive charged surface: 271.045  Negative charged surface: 316.711  Volume: 358.875
  Hydrophobic surface: 437.816  Hydrophilic surface: 149.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.