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CHEMBRIDGE-ZINC01218498

 MMsINC code: MMs00689872
Type: Neutral
Formula: C26H24N2O3
SMILES:   O(C)c1ccccc1C(=O)N\C(=C/C=C/c1ccccc1)\C(=O)NCc1ccccc1
InChI:   InChI=1/C26H24N2O3/c1-31-24-18-9-8-16-22(24)25(29)28-23(17-10-15-20-11-4-2-5-12-20)26(30)27-19-21-13-6-3-7-14-21/h2-18H,19H2,1H3,(H,27,30)(H,28,29)/b15-10+,23-17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.489 g/mol  logS: -6.6804  SlogP: 4.6051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567964  Sterimol/B1: 2.28376  Sterimol/B2: 5.19331  Sterimol/B3: 6.48474
  Sterimol/B4: 6.82383  Sterimol/L: 18.6667 
 
 Surface and Volume Properties
  Accessible surface: 743.141  Positive charged surface: 432.521  Negative charged surface: 310.62  Volume: 411.625
  Hydrophobic surface: 677.431  Hydrophilic surface: 65.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.