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PUBCHEM-ZINC02530374

 MMsINC code: MMs02894389
Type: Neutral
Formula: C26H20N2O5
SMILES:   O(C(=O)c1ccc(OC)cc1)c1ccc2c(cccc2)c1\C=N\NC(=O)c1ccccc1O
InChI:   InChI=1/C26H20N2O5/c1-32-19-13-10-18(11-14-19)26(31)33-24-15-12-17-6-2-3-7-20(17)22(24)16-27-28-25(30)21-8-4-5-9-23(21)29/h2-16,29H,1H3,(H,28,30)/b27-16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=169.136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.455 g/mol  logS: -7.21852  SlogP: 4.5371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464246  Sterimol/B1: 2.31351  Sterimol/B2: 2.32774  Sterimol/B3: 4.91886
  Sterimol/B4: 11.1326  Sterimol/L: 17.5642 
 
 Surface and Volume Properties
  Accessible surface: 689.003  Positive charged surface: 414.509  Negative charged surface: 264.476  Volume: 410.125
  Hydrophobic surface: 588.466  Hydrophilic surface: 100.537
 
 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.