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CHEMDIV-ZINC04734188

 MMsINC code: MMs00946169
Type: Neutral
Formula: C26H20N4O2
SMILES:   O(C)c1ccc(Nc2ncc(c3c2cccc3)C(=O)Nc2cc3c(nc2)cccc3)cc1
InChI:   InChI=1/C26H20N4O2/c1-32-20-12-10-18(11-13-20)29-25-22-8-4-3-7-21(22)23(16-28-25)26(31)30-19-14-17-6-2-5-9-24(17)27-15-19/h2-16H,1H3,(H,28,29)(H,30,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=162.601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.472 g/mol  logS: -6.54511  SlogP: 5.7875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185637  Sterimol/B1: 2.23503  Sterimol/B2: 2.65791  Sterimol/B3: 3.38858
  Sterimol/B4: 11.0942  Sterimol/L: 20.128 
 
 Surface and Volume Properties
  Accessible surface: 710.987  Positive charged surface: 442.903  Negative charged surface: 251.441  Volume: 399.25
  Hydrophobic surface: 629.993  Hydrophilic surface: 80.994
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.