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PUBCHEM-ZINC00674610

 MMsINC code: MMs02725241
Type: Neutral
Formula: C25H20N2O3
SMILES:   O1CCOc2c1cc(NC(=O)c1cc(nc3c1cccc3)-c1cc(ccc1)C)cc2
InChI:   InChI=1/C25H20N2O3/c1-16-5-4-6-17(13-16)22-15-20(19-7-2-3-8-21(19)27-22)25(28)26-18-9-10-23-24(14-18)30-12-11-29-23/h2-10,13-15H,11-12H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.446 g/mol  logS: -7.06211  SlogP: 5.23372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151199  Sterimol/B1: 2.57119  Sterimol/B2: 3.4856  Sterimol/B3: 4.44297
  Sterimol/B4: 8.65154  Sterimol/L: 19.7181 
 
 Surface and Volume Properties
  Accessible surface: 673.171  Positive charged surface: 408.212  Negative charged surface: 255.782  Volume: 377.875
  Hydrophobic surface: 605.678  Hydrophilic surface: 67.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.