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CHEMDIV-ZINC05750349

 MMsINC code: MMs00997394
Type: Neutral
Formula: C25H20N2O4
SMILES:   O=C1N(C(=O)CC1)c1cc(ccc1)C(=O)Nc1ccc(cc1C(=O)c1ccccc1)C
InChI:   InChI=1/C25H20N2O4/c1-16-10-11-21(20(14-16)24(30)17-6-3-2-4-7-17)26-25(31)18-8-5-9-19(15-18)27-22(28)12-13-23(27)29/h2-11,14-15H,12-13H2,1H3,(H,26,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.445 g/mol  logS: -6.29769  SlogP: 4.13172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913395  Sterimol/B1: 2.53858  Sterimol/B2: 4.17605  Sterimol/B3: 4.56623
  Sterimol/B4: 10.1644  Sterimol/L: 17.5123 
 
 Surface and Volume Properties
  Accessible surface: 685.274  Positive charged surface: 368.795  Negative charged surface: 316.479  Volume: 388.25
  Hydrophobic surface: 550.582  Hydrophilic surface: 134.692
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.