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PUBCHEM-ZINC03876582

 MMsINC code: MMs03083324
Type: Neutral
Formula: C14H23NO2S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)CCCC)CC(C)C
InChI:   InChI=1/C14H23NO2S/c1-4-5-6-13-7-9-14(10-8-13)15-18(16,17)11-12(2)3/h7-10,12,15H,4-6,11H2,1-3H3

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Potential Energy
Epot(MMFF94)=21.6996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.409 g/mol  logS: -3.97319  SlogP: 3.42687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051944  Sterimol/B1: 3.3441  Sterimol/B2: 3.7453  Sterimol/B3: 4.15716
  Sterimol/B4: 4.27394  Sterimol/L: 17.3924 
 
 Surface and Volume Properties
  Accessible surface: 536.695  Positive charged surface: 358.048  Negative charged surface: 178.647  Volume: 273.625
  Hydrophobic surface: 399.254  Hydrophilic surface: 137.441
 
 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.