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CHEMDIV-ZINC07005461

 MMsINC code: MMs01070834
Type: Neutral
Formula: C19H20N2O4S
SMILES:   S(=O)(=O)(NCc1cc(ccc1)C)c1cc(ccc1OC)-c1onc(c1)C
InChI:   InChI=1/C19H20N2O4S/c1-13-5-4-6-15(9-13)12-20-26(22,23)19-11-16(7-8-17(19)24-3)18-10-14(2)21-25-18/h4-11,20H,12H2,1-3H3

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Potential Energy
Epot(MMFF94)=62.5374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.445 g/mol  logS: -4.86998  SlogP: 3.71194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711537  Sterimol/B1: 3.3782  Sterimol/B2: 4.06287  Sterimol/B3: 5.17408
  Sterimol/B4: 6.16117  Sterimol/L: 19.3744 
 
 Surface and Volume Properties
  Accessible surface: 634.272  Positive charged surface: 356.952  Negative charged surface: 277.32  Volume: 343.5
  Hydrophobic surface: 526.439  Hydrophilic surface: 107.833
 
 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.