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ASINEX-ZINC00866576

 MMsINC code: MMs00199839
Type: Neutral
Formula: C19H20ClNO4S
SMILES:   Clc1ccccc1C(=O)Nc1sc2c(CC(OC2)(C)C)c1C(OCC)=O
InChI:   InChI=1/C19H20ClNO4S/c1-4-24-18(23)15-12-9-19(2,3)25-10-14(12)26-17(15)21-16(22)11-7-5-6-8-13(11)20/h5-8H,4,9-10H2,1-3H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=111.363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.891 g/mol  logS: -5.87052  SlogP: 4.94817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489534  Sterimol/B1: 2.3561  Sterimol/B2: 2.52585  Sterimol/B3: 4.75831
  Sterimol/B4: 10.295  Sterimol/L: 17.3264 
 
 Surface and Volume Properties
  Accessible surface: 641.642  Positive charged surface: 364.167  Negative charged surface: 277.476  Volume: 350.25
  Hydrophobic surface: 505.823  Hydrophilic surface: 135.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.