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CHEMBRIDGE-ZINC01298440

 MMsINC code: MMs00693760
Type: Neutral
Formula: C24H30N2O3
SMILES:   O(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1C(C)C
InChI:   InChI=1/C24H30N2O3/c1-17(2)19-12-7-9-15-22(19)29-16-23(27)26-21-14-8-6-13-20(21)24(28)25-18-10-4-3-5-11-18/h6-9,12-15,17-18H,3-5,10-11,16H2,1-2H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.6258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.515 g/mol  logS: -6.23987  SlogP: 4.89  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407206  Sterimol/B1: 2.93795  Sterimol/B2: 4.49132  Sterimol/B3: 5.99132
  Sterimol/B4: 6.77377  Sterimol/L: 18.9393 
 
 Surface and Volume Properties
  Accessible surface: 715.299  Positive charged surface: 488.932  Negative charged surface: 226.367  Volume: 402.375
  Hydrophobic surface: 616.307  Hydrophilic surface: 98.992
 
 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.