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ASINEX-ZINC03009803

 MMsINC code: MMs00283272
Type: Neutral
Formula: C24H28N2O3
SMILES:   O(CC)c1ccccc1\C=C(/NC(=O)c1ccccc1)\C(=O)N1CCCCCC1
InChI:   InChI=1/C24H28N2O3/c1-2-29-22-15-9-8-14-20(22)18-21(24(28)26-16-10-3-4-11-17-26)25-23(27)19-12-6-5-7-13-19/h5-9,12-15,18H,2-4,10-11,16-17H2,1H3,(H,25,27)/b21-18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.499 g/mol  logS: -5.27037  SlogP: 4.2588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196665  Sterimol/B1: 2.41035  Sterimol/B2: 6.2903  Sterimol/B3: 6.39214
  Sterimol/B4: 8.00848  Sterimol/L: 15.9036 
 
 Surface and Volume Properties
  Accessible surface: 682.719  Positive charged surface: 447.536  Negative charged surface: 235.183  Volume: 395.5
  Hydrophobic surface: 616.197  Hydrophilic surface: 66.522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.