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PUBCHEM-ZINC05602374

 MMsINC code: MMs03321138
Type: Neutral
Formula: C21H20ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C21H20ClNO2S/c22-19-11-13-20(14-12-19)26(24,25)23-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,23H,15-16H2

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Potential Energy
Epot(MMFF94)=60.5837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.915 g/mol  logS: -5.63075  SlogP: 4.8405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137542  Sterimol/B1: 2.4679  Sterimol/B2: 3.50044  Sterimol/B3: 4.26028
  Sterimol/B4: 9.0881  Sterimol/L: 16.903 
 
 Surface and Volume Properties
  Accessible surface: 641.219  Positive charged surface: 310.256  Negative charged surface: 330.963  Volume: 356.75
  Hydrophobic surface: 559.015  Hydrophilic surface: 82.204
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.