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PUBCHEM-ZINC01001209

 MMsINC code: MMs02753684
Type: Neutral
Formula: C19H15FN2O5
SMILES:   Fc1ccc(OCc2cc(ccc2OC)C=C2C(=O)NC(=O)NC2=O)cc1
InChI:   InChI=1/C19H15FN2O5/c1-26-16-7-2-11(9-15-17(23)21-19(25)22-18(15)24)8-12(16)10-27-14-5-3-13(20)4-6-14/h2-9H,10H2,1H3,(H2,21,22,23,24,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.9054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.336 g/mol  logS: -4.97474  SlogP: 2.4291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389651  Sterimol/B1: 2.24529  Sterimol/B2: 3.31498  Sterimol/B3: 3.47162
  Sterimol/B4: 9.82548  Sterimol/L: 17.9943 
 
 Surface and Volume Properties
  Accessible surface: 600.415  Positive charged surface: 356.953  Negative charged surface: 243.462  Volume: 320.375
  Hydrophobic surface: 410.852  Hydrophilic surface: 189.563
 
 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.