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PUBCHEM-ZINC01160251

 MMsINC code: MMs02780878
Type: Neutral
Formula: C21H21NO2S2
SMILES:   S(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChI:   InChI=1/C21H21NO2S2/c1-25-20-12-14-21(15-13-20)26(23,24)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3

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Potential Energy
Epot(MMFF94)=61.4654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.536 g/mol  logS: -5.85564  SlogP: 5.3324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142893  Sterimol/B1: 2.41971  Sterimol/B2: 2.68832  Sterimol/B3: 6.15681
  Sterimol/B4: 8.45854  Sterimol/L: 16.3759 
 
 Surface and Volume Properties
  Accessible surface: 597.167  Positive charged surface: 306.309  Negative charged surface: 290.858  Volume: 366.125
  Hydrophobic surface: 496.905  Hydrophilic surface: 100.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.