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PUBCHEM-ZINC00677171

 MMsINC code: MMs02725856
Type: Neutral
Formula: C19H23ClN2O4S
SMILES:   Clc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1C
InChI:   InChI=1/C19H23ClN2O4S/c1-13-11-15(7-10-17(13)20)26-12-18(23)21-14-5-8-16(9-6-14)27(24,25)22-19(2,3)4/h5-11,22H,12H2,1-4H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=101.342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.922 g/mol  logS: -5.14606  SlogP: 3.74272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041543  Sterimol/B1: 2.46156  Sterimol/B2: 4.36876  Sterimol/B3: 4.4753
  Sterimol/B4: 6.37238  Sterimol/L: 20.9252 
 
 Surface and Volume Properties
  Accessible surface: 664.182  Positive charged surface: 364.141  Negative charged surface: 300.041  Volume: 367.25
  Hydrophobic surface: 493.107  Hydrophilic surface: 171.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.