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CHEMBRIDGE-ZINC01142683

 MMsINC code: MMs00670439
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(C)c1ccc(cc1)C(=O)N\C(=C\c1ccc(OC)cc1)\C(=O)N1CCCCCC1
InChI:   InChI=1/C24H28N2O4/c1-29-20-11-7-18(8-12-20)17-22(24(28)26-15-5-3-4-6-16-26)25-23(27)19-9-13-21(30-2)14-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,25,27)/b22-17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -4.99354  SlogP: 3.8773  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0881168  Sterimol/B1: 2.34119  Sterimol/B2: 2.98882  Sterimol/B3: 5.8765
  Sterimol/B4: 7.94912  Sterimol/L: 20.2537 
 
 Surface and Volume Properties
  Accessible surface: 670.555  Positive charged surface: 482.367  Negative charged surface: 188.188  Volume: 402.625
  Hydrophobic surface: 616.294  Hydrophilic surface: 54.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.