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CHEMDIV-ZINC01163041

 MMsINC code: MMs00863551
Type: Neutral
Formula: C16H16ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OC)cc2)cc1
InChI:   InChI=1/C16H16ClNO4S/c1-22-14-6-4-13(5-7-14)18-16(19)10-11-23(20,21)15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=66.4126 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: 0.0415236  Sterimol/B1: 3.48792  Sterimol/B2: 3.7161  Sterimol/B3: 4.07221
  Sterimol/B4: 5.26422  Sterimol/L: 19.9471 
 
 Surface and Volume Properties
  Accessible surface: 593.696  Positive charged surface: 316.324  Negative charged surface: 277.372  Volume: 306.625
  Hydrophobic surface: 485.076  Hydrophilic surface: 108.62
 
 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.