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PUBCHEM-ZINC01073322

 MMsINC code: MMs02764327
Type: Neutral
Formula: C24H19N3O3
SMILES:   O1CCOc2c1cc(NC(=O)c1cc(nc3c1cc(cc3)C)-c1ccncc1)cc2
InChI:   InChI=1/C24H19N3O3/c1-15-2-4-20-18(12-15)19(14-21(27-20)16-6-8-25-9-7-16)24(28)26-17-3-5-22-23(13-17)30-11-10-29-22/h2-9,12-14H,10-11H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.434 g/mol  logS: -5.80397  SlogP: 4.62872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188805  Sterimol/B1: 2.29889  Sterimol/B2: 2.95852  Sterimol/B3: 3.0678
  Sterimol/B4: 11.9133  Sterimol/L: 18.6717 
 
 Surface and Volume Properties
  Accessible surface: 660.903  Positive charged surface: 436.66  Negative charged surface: 214.926  Volume: 372.625
  Hydrophobic surface: 579.295  Hydrophilic surface: 81.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.