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ASINEX-ZINC04551367

 MMsINC code: MMs00351564
Type: Neutral
Formula: C24H32N2O4
SMILES:   O(CCCCCCCCOC(=O)Nc1ccccc1C)C(=O)Nc1ccccc1C
InChI:   InChI=1/C24H32N2O4/c1-19-13-7-9-15-21(19)25-23(27)29-17-11-5-3-4-6-12-18-30-24(28)26-22-16-10-8-14-20(22)2/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.0844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.53 g/mol  logS: -5.8955  SlogP: 6.44124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00578164  Sterimol/B1: 2.34244  Sterimol/B2: 2.74636  Sterimol/B3: 2.89805
  Sterimol/B4: 6.82518  Sterimol/L: 28.0785 
 
 Surface and Volume Properties
  Accessible surface: 808.006  Positive charged surface: 551.497  Negative charged surface: 256.51  Volume: 423.875
  Hydrophobic surface: 707.841  Hydrophilic surface: 100.165
 
 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.