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CHEMBRIDGE-ZINC02998043

 MMsINC code: MMs00748714
Type: Neutral
Formula: C24H20N2O3
SMILES:   Oc1ccccc1NC(=O)/C(/NC(=O)\C=C\c1ccccc1)=C/c1ccccc1
InChI:   InChI=1/C24H20N2O3/c27-22-14-8-7-13-20(22)26-24(29)21(17-19-11-5-2-6-12-19)25-23(28)16-15-18-9-3-1-4-10-18/h1-17,27H,(H,25,28)(H,26,29)/b16-15+,21-17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.435 g/mol  logS: -6.01058  SlogP: 4.2014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390423  Sterimol/B1: 3.63609  Sterimol/B2: 3.88783  Sterimol/B3: 5.28422
  Sterimol/B4: 7.05957  Sterimol/L: 18.7437 
 
 Surface and Volume Properties
  Accessible surface: 655.785  Positive charged surface: 365.201  Negative charged surface: 290.584  Volume: 372.125
  Hydrophobic surface: 563.504  Hydrophilic surface: 92.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.