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CHEMBRIDGE-ZINC01802940

 MMsINC code: MMs00698297
Type: Neutral
Formula: C24H28N2O2
SMILES:   O=C(N\C(=C/c1ccc(cc1)C)\C(=O)NC1CCCCC1)c1ccc(cc1)C
InChI:   InChI=1/C24H28N2O2/c1-17-8-12-19(13-9-17)16-22(24(28)25-21-6-4-3-5-7-21)26-23(27)20-14-10-18(2)11-15-20/h8-16,21H,3-7H2,1-2H3,(H,25,28)(H,26,27)/b22-16-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.5 g/mol  logS: -6.46183  SlogP: 4.52324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510057  Sterimol/B1: 2.53131  Sterimol/B2: 3.29546  Sterimol/B3: 3.75433
  Sterimol/B4: 11.3024  Sterimol/L: 17.5714 
 
 Surface and Volume Properties
  Accessible surface: 685.413  Positive charged surface: 434.851  Negative charged surface: 250.562  Volume: 389.5
  Hydrophobic surface: 628.435  Hydrophilic surface: 56.978
 
 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.