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CHEMDIV-ZINC02940738

 MMsINC code: MMs00895353
Type: Neutral
Formula: C16H16ClNO4S
SMILES:   Clc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C16H16ClNO4S/c1-22-12-6-8-13(9-7-12)23(20,21)11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=72.6221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.826 g/mol  logS: -4.18859  SlogP: 3.1511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426332  Sterimol/B1: 2.9872  Sterimol/B2: 3.57633  Sterimol/B3: 4.18184
  Sterimol/B4: 6.61782  Sterimol/L: 18.6721 
 
 Surface and Volume Properties
  Accessible surface: 592.015  Positive charged surface: 316.819  Negative charged surface: 275.197  Volume: 304.625
  Hydrophobic surface: 488.991  Hydrophilic surface: 103.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.