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PUBCHEM-ZINC03687664

MMsINC code: MMs03042192

Type: Neutral
Formula: C26H24N2
SMILES:   [nH]1c2c(ccc3c2cccc3)c(CCCCN)c1-c1cc2c(cc1)cccc2
InChI:   InChI=1/C26H24N2/c27-16-6-5-11-23-24-15-14-19-8-3-4-10-22(19)26(24)28-25(23)21-13-12-18-7-1-2-9-20(18)17-21/h1-4,7-10,12-15,17,28H,5-6,11,16,27H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=78.7606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.492 g/mol  logS: -7.95565  SlogP: 6.42267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871264  Sterimol/B1: 2.48577  Sterimol/B2: 3.55321  Sterimol/B3: 4.25699
  Sterimol/B4: 10.5547  Sterimol/L: 17.2495 
 
 Surface and Volume Properties
  Accessible surface: 658.985  Positive charged surface: 397.003  Negative charged surface: 237.032  Volume: 381.125
  Hydrophobic surface: 575.703  Hydrophilic surface: 83.282
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0

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Ions/Tautomers related molecules


MMs03042193
PUBCHEM-ZINC03687664