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PUBCHEM-ZINC05363211

 MMsINC code: MMs03249222
Type: Neutral
Formula: C15H16N2O3S
SMILES:   S(=O)(=O)(NC(=O)Nc1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C15H16N2O3S/c1-11-3-7-13(8-4-11)16-15(18)17-21(19,20)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=6.87681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.37 g/mol  logS: -4.42298  SlogP: 2.81384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963703  Sterimol/B1: 3.31875  Sterimol/B2: 3.81598  Sterimol/B3: 4.24731
  Sterimol/B4: 7.03264  Sterimol/L: 15.3864 
 
 Surface and Volume Properties
  Accessible surface: 540.831  Positive charged surface: 298.746  Negative charged surface: 242.085  Volume: 276.125
  Hydrophobic surface: 423.687  Hydrophilic surface: 117.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.