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PUBCHEM-ZINC05047953

 MMsINC code: MMs03193144
Type: Neutral
Formula: C24H32N2O4
SMILES:   O(CCCCCCCCOC(=O)NCc1ccccc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H32N2O4/c27-23(25-19-21-13-7-5-8-14-21)29-17-11-3-1-2-4-12-18-30-24(28)26-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.84833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.53 g/mol  logS: -5.46264  SlogP: 5.7126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152738  Sterimol/B1: 2.68949  Sterimol/B2: 3.61738  Sterimol/B3: 3.62122
  Sterimol/B4: 5.23461  Sterimol/L: 29.8128 
 
 Surface and Volume Properties
  Accessible surface: 843.026  Positive charged surface: 577.905  Negative charged surface: 265.121  Volume: 426.625
  Hydrophobic surface: 703.558  Hydrophilic surface: 139.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.