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CHEMDIV-ZINC06887662

 MMsINC code: MMs01054022
Type: Neutral
Formula: C19H20N2O4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)CC)c1cc(ccc1OC)-c1onc(c1)C
InChI:   InChI=1/C19H20N2O4S/c1-4-14-5-8-16(9-6-14)21-26(22,23)19-12-15(7-10-17(19)24-3)18-11-13(2)20-25-18/h5-12,21H,4H2,1-3H3

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Potential Energy
Epot(MMFF94)=73.8418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.445 g/mol  logS: -5.44116  SlogP: 4.02179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158697  Sterimol/B1: 2.44509  Sterimol/B2: 3.01567  Sterimol/B3: 5.64701
  Sterimol/B4: 9.90291  Sterimol/L: 15.3481 
 
 Surface and Volume Properties
  Accessible surface: 628.828  Positive charged surface: 379.952  Negative charged surface: 248.876  Volume: 344.625
  Hydrophobic surface: 501.545  Hydrophilic surface: 127.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.