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PUBCHEM-ZINC01325880

 MMsINC code: MMs02797001
Type: Neutral
Formula: C24H28N2O4
SMILES:   O1CCOc2c1cc(cc2)C(=O)N(CC(=O)NC1CCCCC1)c1ccc(cc1)C
InChI:   InChI=1/C24H28N2O4/c1-17-7-10-20(11-8-17)26(16-23(27)25-19-5-3-2-4-6-19)24(28)18-9-12-21-22(15-18)30-14-13-29-21/h7-12,15,19H,2-6,13-14,16H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=182.255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.61611  SlogP: 3.86192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751813  Sterimol/B1: 2.51087  Sterimol/B2: 3.34277  Sterimol/B3: 3.95863
  Sterimol/B4: 12.7266  Sterimol/L: 16.2868 
 
 Surface and Volume Properties
  Accessible surface: 679.766  Positive charged surface: 479.311  Negative charged surface: 200.454  Volume: 394.75
  Hydrophobic surface: 603.228  Hydrophilic surface: 76.538
 
 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.