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PUBCHEM-ZINC06571317

 MMsINC code: MMs03803884
Type: Neutral
Formula: C19H20N2O4S
SMILES:   S=C(Nc1cccc(C(O)=O)c1C)NC(=O)c1cc(OC(C)C)ccc1
InChI:   InChI=1/C19H20N2O4S/c1-11(2)25-14-7-4-6-13(10-14)17(22)21-19(26)20-16-9-5-8-15(12(16)3)18(23)24/h4-11H,1-3H3,(H,23,24)(H2,20,21,22,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.445 g/mol  logS: -5.65303  SlogP: 3.60722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0280125  Sterimol/B1: 2.51597  Sterimol/B2: 3.49454  Sterimol/B3: 3.5536
  Sterimol/B4: 6.55834  Sterimol/L: 20.6747 
 
 Surface and Volume Properties
  Accessible surface: 628.219  Positive charged surface: 367.245  Negative charged surface: 260.974  Volume: 343.75
  Hydrophobic surface: 396.941  Hydrophilic surface: 231.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03803885
PUBCHEM-ZINC06571317