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PUBCHEM-ZINC02852888

 MMsINC code: MMs02939377
Type: Neutral
Formula: C18H17NO2S3
SMILES:   s1cccc1S(=O)(=O)Nc1ccc(cc1C)CSc1ccccc1
InChI:   InChI=1/C18H17NO2S3/c1-14-12-15(13-23-16-6-3-2-4-7-16)9-10-17(14)19-24(20,21)18-8-5-11-22-18/h2-12,19H,13H2,1H3

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Potential Energy
Epot(MMFF94)=71.8066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.537 g/mol  logS: -5.9615  SlogP: 5.41602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855284  Sterimol/B1: 2.36936  Sterimol/B2: 2.57158  Sterimol/B3: 6.39669
  Sterimol/B4: 8.07946  Sterimol/L: 17.2744 
 
 Surface and Volume Properties
  Accessible surface: 602.504  Positive charged surface: 287.668  Negative charged surface: 314.836  Volume: 335.5
  Hydrophobic surface: 494.481  Hydrophilic surface: 108.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.