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PUBCHEM-ZINC05249547

 MMsINC code: MMs03228038
Type: Neutral
Formula: C19H23NO4S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C)c1ccc(cc1)C(CCOC(=O)C)C
InChI:   InChI=1/C19H23NO4S/c1-14-5-4-6-18(13-14)20-25(22,23)19-9-7-17(8-10-19)15(2)11-12-24-16(3)21/h4-10,13,15,20H,11-12H2,1-3H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=53.6892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.462 g/mol  logS: -4.68819  SlogP: 3.85252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100916  Sterimol/B1: 2.14649  Sterimol/B2: 2.59103  Sterimol/B3: 5.40201
  Sterimol/B4: 9.02433  Sterimol/L: 15.2456 
 
 Surface and Volume Properties
  Accessible surface: 642.692  Positive charged surface: 377.927  Negative charged surface: 264.766  Volume: 344.625
  Hydrophobic surface: 493.952  Hydrophilic surface: 148.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.