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PUBCHEM-ZINC05547699

MMsINC code: MMs03303836

Type: Neutral
Formula: C24H24N2
SMILES:   n1c2c(n(Cc3c(cc(cc3C)C)C)c1-c1ccc(cc1)C)cccc2
InChI:   InChI=1/C24H24N2/c1-16-9-11-20(12-10-16)24-25-22-7-5-6-8-23(22)26(24)15-21-18(3)13-17(2)14-19(21)4/h5-14H,15H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=171.423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.47 g/mol  logS: -8.04783  SlogP: 6.25168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203789  Sterimol/B1: 4.1559  Sterimol/B2: 4.57054  Sterimol/B3: 5.73801
  Sterimol/B4: 7.45762  Sterimol/L: 14.1054 
 
 Surface and Volume Properties
  Accessible surface: 595.81  Positive charged surface: 357.833  Negative charged surface: 237.977  Volume: 356
  Hydrophobic surface: 570.454  Hydrophilic surface: 25.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.