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ASINEX-ZINC01336828

 MMsINC code: MMs00238754
Type: Neutral
Formula: C19H20ClNO4S
SMILES:   Clc1ccc(cc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChI:   InChI=1/C19H20ClNO4S/c1-25-17-6-8-18(9-7-17)26(23,24)21-12-10-15(11-13-21)19(22)14-2-4-16(20)5-3-14/h2-9,15H,10-13H2,1H3

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Potential Energy
Epot(MMFF94)=65.4375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.891 g/mol  logS: -4.49122  SlogP: 3.6322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103734  Sterimol/B1: 2.39189  Sterimol/B2: 4.01515  Sterimol/B3: 4.48411
  Sterimol/B4: 8.05886  Sterimol/L: 17.9783 
 
 Surface and Volume Properties
  Accessible surface: 619.552  Positive charged surface: 341.303  Negative charged surface: 278.25  Volume: 349.125
  Hydrophobic surface: 524.527  Hydrophilic surface: 95.025
 
 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.