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CHEMDIV-ZINC06887659

 MMsINC code: MMs01054019
Type: Neutral
Formula: C19H20N2O4S
SMILES:   S(=O)(=O)(Nc1cccc(C)c1C)c1cc(ccc1OC)-c1onc(c1)C
InChI:   InChI=1/C19H20N2O4S/c1-12-6-5-7-16(14(12)3)21-26(22,23)19-11-15(8-9-17(19)24-4)18-10-13(2)20-25-18/h5-11,21H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.2245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.445 g/mol  logS: -5.08641  SlogP: 4.07626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0862667  Sterimol/B1: 2.57349  Sterimol/B2: 2.72911  Sterimol/B3: 5.42485
  Sterimol/B4: 9.01974  Sterimol/L: 16.2692 
 
 Surface and Volume Properties
  Accessible surface: 610.484  Positive charged surface: 350.159  Negative charged surface: 260.325  Volume: 338.125
  Hydrophobic surface: 514.271  Hydrophilic surface: 96.213
 
 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.