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NCID-ZINC01560324

 MMsINC code: MMs02222781
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C)c1cc(ccc1OC)\C=N\c1ccccc1\N=C\c1cc(OC)c(OC)cc1
InChI:   InChI=1/C24H24N2O4/c1-27-21-11-9-17(13-23(21)29-3)15-25-19-7-5-6-8-20(19)26-16-18-10-12-22(28-2)24(14-18)30-4/h5-16H,1-4H3/b25-15+,26-16+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.43588  SlogP: 5.2222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838767  Sterimol/B1: 2.34353  Sterimol/B2: 2.4508  Sterimol/B3: 6.1299
  Sterimol/B4: 11.7878  Sterimol/L: 18.8508 
 
 Surface and Volume Properties
  Accessible surface: 739.971  Positive charged surface: 566.376  Negative charged surface: 173.595  Volume: 401.5
  Hydrophobic surface: 678.749  Hydrophilic surface: 61.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.