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CHEMBRIDGE-ZINC02821253

 MMsINC code: MMs00718755
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(N\C(=C\c1ccccc1)\C(=O)NCCCC)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H24N2O2/c1-2-3-16-25-24(28)22(17-18-10-5-4-6-11-18)26-23(27)21-15-9-13-19-12-7-8-14-20(19)21/h4-15,17H,2-3,16H2,1H3,(H,25,28)(H,26,27)/b22-17-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -6.96493  SlogP: 4.527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549302  Sterimol/B1: 3.52206  Sterimol/B2: 4.09  Sterimol/B3: 4.6385
  Sterimol/B4: 9.47832  Sterimol/L: 17.9005 
 
 Surface and Volume Properties
  Accessible surface: 680.5  Positive charged surface: 399.385  Negative charged surface: 270.104  Volume: 378.75
  Hydrophobic surface: 601.262  Hydrophilic surface: 79.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.