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PUBCHEM-ZINC00365382

 MMsINC code: MMs02664202
Type: Neutral
Formula: C18H23NO2S
SMILES:   S(=O)(=O)(NCc1ccc(cc1)C)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C18H23NO2S/c1-14-5-7-15(8-6-14)13-19-22(20,21)17-11-9-16(10-12-17)18(2,3)4/h5-12,19H,13H2,1-4H3

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Potential Energy
Epot(MMFF94)=44.2612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.453 g/mol  logS: -5.48426  SlogP: 4.03742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069326  Sterimol/B1: 2.70559  Sterimol/B2: 3.74702  Sterimol/B3: 3.82828
  Sterimol/B4: 6.63434  Sterimol/L: 17.6894 
 
 Surface and Volume Properties
  Accessible surface: 585.977  Positive charged surface: 338.179  Negative charged surface: 247.799  Volume: 316.75
  Hydrophobic surface: 453.04  Hydrophilic surface: 132.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.