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CHEMDIV-ZINC07005308

 MMsINC code: MMs01070736
Type: Neutral
Formula: C19H20N2O4S
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(ccc1OC)-c1onc(C)c1C
InChI:   InChI=1/C19H20N2O4S/c1-13-14(2)21-25-19(13)16-9-10-17(24-3)18(11-16)26(22,23)20-12-15-7-5-4-6-8-15/h4-11,20H,12H2,1-3H3

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Potential Energy
Epot(MMFF94)=64.6451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.445 g/mol  logS: -4.55653  SlogP: 3.71194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10658  Sterimol/B1: 2.01457  Sterimol/B2: 3.79433  Sterimol/B3: 6.17415
  Sterimol/B4: 6.7256  Sterimol/L: 18.2897 
 
 Surface and Volume Properties
  Accessible surface: 619.931  Positive charged surface: 348.748  Negative charged surface: 271.183  Volume: 340
  Hydrophobic surface: 512.37  Hydrophilic surface: 107.561
 
 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.