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PUBCHEM-ZINC01502465

 MMsINC code: MMs02812343
Type: Neutral
Formula: C20H17ClN2O3S
SMILES:   Clc1ccc(cc1)C(=O)N(Cc1ccc(S(=O)(=O)C)cc1)c1ncccc1
InChI:   InChI=1/C20H17ClN2O3S/c1-27(25,26)18-11-5-15(6-12-18)14-23(19-4-2-3-13-22-19)20(24)16-7-9-17(21)10-8-16/h2-13H,14H2,1H3

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Potential Energy
Epot(MMFF94)=174.924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.886 g/mol  logS: -4.94488  SlogP: 4.2519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0934402  Sterimol/B1: 3.51996  Sterimol/B2: 3.76342  Sterimol/B3: 4.10127
  Sterimol/B4: 9.89993  Sterimol/L: 15.6127 
 
 Surface and Volume Properties
  Accessible surface: 619.973  Positive charged surface: 299.095  Negative charged surface: 320.878  Volume: 350.875
  Hydrophobic surface: 508.722  Hydrophilic surface: 111.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.