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PUBCHEM-ZINC00361790

 MMsINC code: MMs02662638
Type: Neutral
Formula: C15H17NO2S
SMILES:   S(=O)(=O)(Nc1ccccc1CC)c1ccc(cc1)C
InChI:   InChI=1/C15H17NO2S/c1-3-13-6-4-5-7-15(13)16-19(17,18)14-10-8-12(2)9-11-14/h4-11,16H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=44.3484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.372 g/mol  logS: -4.19633  SlogP: 3.35819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.324719  Sterimol/B1: 2.56952  Sterimol/B2: 2.69315  Sterimol/B3: 6.34008
  Sterimol/B4: 7.37276  Sterimol/L: 11.9112 
 
 Surface and Volume Properties
  Accessible surface: 474.288  Positive charged surface: 265.914  Negative charged surface: 208.374  Volume: 265.375
  Hydrophobic surface: 384.076  Hydrophilic surface: 90.212
 
 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.