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IBS-ZINC05346090

 MMsINC code: MMs01941736
Type: Neutral
Formula: C19H16N2O5S
SMILES:   S=C(Nc1cc2C=CC(Oc2cc1)=O)NC(=O)c1cc(OC)cc(OC)c1
InChI:   InChI=1/C19H16N2O5S/c1-24-14-8-12(9-15(10-14)25-2)18(23)21-19(27)20-13-4-5-16-11(7-13)3-6-17(22)26-16/h3-10H,1-2H3,(H2,20,21,23,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.412 g/mol  logS: -6.30524  SlogP: 2.7628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0181244  Sterimol/B1: 2.38725  Sterimol/B2: 2.80547  Sterimol/B3: 3.45583
  Sterimol/B4: 6.86996  Sterimol/L: 20.0122 
 
 Surface and Volume Properties
  Accessible surface: 632.502  Positive charged surface: 391.742  Negative charged surface: 240.76  Volume: 339.75
  Hydrophobic surface: 435.976  Hydrophilic surface: 196.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.