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ASINEX-ZINC02285773

 MMsINC code: MMs00267597
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(CCCCCC)c1ccc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CC)cc1
InChI:   InChI=1/C24H28N2O4/c1-3-5-6-9-16-30-18-14-12-17(13-15-18)25-23(28)21-22(27)19-10-7-8-11-20(19)26(4-2)24(21)29/h7-8,10-15,27H,3-6,9,16H2,1-2H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.3123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -6.24153  SlogP: 4.92  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013204  Sterimol/B1: 2.44811  Sterimol/B2: 3.4977  Sterimol/B3: 4.76364
  Sterimol/B4: 6.09685  Sterimol/L: 24.0472 
 
 Surface and Volume Properties
  Accessible surface: 736.966  Positive charged surface: 489.618  Negative charged surface: 247.348  Volume: 405.125
  Hydrophobic surface: 594.038  Hydrophilic surface: 142.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.