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CHEMBLOCK-ZINC06646050

 MMsINC code: MMs00581355
Type: Neutral
Formula: C28H24N2O2
SMILES:   Oc1ccccc1\C=N/c1ccc(cc1C)-c1cc(C)c(\N=C\c2ccccc2O)cc1
InChI:   InChI=1/C28H24N2O2/c1-19-15-21(11-13-25(19)29-17-23-7-3-5-9-27(23)31)22-12-14-26(20(2)16-22)30-18-24-8-4-6-10-28(24)32/h3-18,31-32H,1-2H3/b29-17-,30-18+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=171.462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.512 g/mol  logS: -7.25778  SlogP: 6.88284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0620058  Sterimol/B1: 2.16253  Sterimol/B2: 3.69389  Sterimol/B3: 4.31674
  Sterimol/B4: 8.58378  Sterimol/L: 21.0834 
 
 Surface and Volume Properties
  Accessible surface: 720.225  Positive charged surface: 434.523  Negative charged surface: 276.937  Volume: 422.25
  Hydrophobic surface: 605.098  Hydrophilic surface: 115.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.