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PUBCHEM-ZINC00468086

 MMsINC code: MMs02687722
Type: Neutral
Formula: C14H23NO2S
SMILES:   S(=O)(=O)(N(C)C)c1cc(cc(C)c1C)C(C)(C)C
InChI:   InChI=1/C14H23NO2S/c1-10-8-12(14(3,4)5)9-13(11(10)2)18(16,17)15(6)7/h8-9H,1-7H3

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Potential Energy
Epot(MMFF94)=59.8564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.409 g/mol  logS: -3.95241  SlogP: 2.85124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180225  Sterimol/B1: 2.22471  Sterimol/B2: 3.50014  Sterimol/B3: 3.73617
  Sterimol/B4: 8.24469  Sterimol/L: 11.4092 
 
 Surface and Volume Properties
  Accessible surface: 487.314  Positive charged surface: 331.156  Negative charged surface: 156.158  Volume: 271.75
  Hydrophobic surface: 388.558  Hydrophilic surface: 98.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.