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CHEMSTAR-ZINC04553638

MMsINC code: MMs01117460

Type: Neutral
Formula: C19H11NO4S
SMILES:   s1cccc1C(Oc1ccc(N2C(=O)c3c(cccc3)C2=O)cc1)=O
InChI:   InChI=1/C19H11NO4S/c21-17-14-4-1-2-5-15(14)18(22)20(17)12-7-9-13(10-8-12)24-19(23)16-6-3-11-25-16/h1-11H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=99.5419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.366 g/mol  logS: -5.67932  SlogP: 3.7679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0182519  Sterimol/B1: 3.081  Sterimol/B2: 3.62422  Sterimol/B3: 3.83706
  Sterimol/B4: 4.51882  Sterimol/L: 19.5804 
 
 Surface and Volume Properties
  Accessible surface: 576.134  Positive charged surface: 261.02  Negative charged surface: 315.114  Volume: 304
  Hydrophobic surface: 472.177  Hydrophilic surface: 103.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.