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CHEMDIV-ZINC06732894

 MMsINC code: MMs01004408
Type: Neutral
Formula: C16H16N2O3S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)CC)c1cc2CC(=O)Nc2cc1
InChI:   InChI=1/C16H16N2O3S/c1-2-11-3-5-13(6-4-11)18-22(20,21)14-7-8-15-12(9-14)10-16(19)17-15/h3-9,18H,2,10H2,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=44.3957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.381 g/mol  logS: -4.42182  SlogP: 2.54434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122823  Sterimol/B1: 3.33712  Sterimol/B2: 3.65767  Sterimol/B3: 4.09825
  Sterimol/B4: 6.65461  Sterimol/L: 15.4964 
 
 Surface and Volume Properties
  Accessible surface: 536.494  Positive charged surface: 320.594  Negative charged surface: 215.9  Volume: 283.5
  Hydrophobic surface: 346.55  Hydrophilic surface: 189.944
 
 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.