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CHEMDIV-ZINC06780311

 MMsINC code: MMs01021105
Type: Neutral
Formula: C19H20N2O4S
SMILES:   S1(=O)(=O)N=C(Nc2cc(OC)c(OC)cc2)C(C)=C1c1ccc(cc1)C
InChI:   InChI=1/C19H20N2O4S/c1-12-5-7-14(8-6-12)18-13(2)19(21-26(18,22)23)20-15-9-10-16(24-3)17(11-15)25-4/h5-11H,1-4H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=105.454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.445 g/mol  logS: -4.98457  SlogP: 3.59722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0211784  Sterimol/B1: 3.17919  Sterimol/B2: 4.16431  Sterimol/B3: 4.71043
  Sterimol/B4: 5.06169  Sterimol/L: 18.9838 
 
 Surface and Volume Properties
  Accessible surface: 633.387  Positive charged surface: 396.272  Negative charged surface: 237.116  Volume: 339.625
  Hydrophobic surface: 519.415  Hydrophilic surface: 113.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.