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PUBCHEM-ZINC02739060

 MMsINC code: MMs02914129
Type: Neutral
Formula: C21H19Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C21H19Cl2NO2S/c22-18-11-12-20(23)21(15-18)27(25,26)24-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19,24H,13-14H2

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Potential Energy
Epot(MMFF94)=85.871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.36 g/mol  logS: -6.36504  SlogP: 5.4939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124517  Sterimol/B1: 2.47028  Sterimol/B2: 3.49336  Sterimol/B3: 4.57002
  Sterimol/B4: 9.00825  Sterimol/L: 17.5258 
 
 Surface and Volume Properties
  Accessible surface: 630.719  Positive charged surface: 289.786  Negative charged surface: 340.933  Volume: 370.875
  Hydrophobic surface: 548.209  Hydrophilic surface: 82.51
 
 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.