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PUBCHEM-ZINC03129744

MMsINC code: MMs02998142

Type: Neutral
Formula: C24H21N2+
SMILES:   [n+]1(c2c(ccc1\C=C\C=C\Nc1c3c(ccc1)cccc3)cccc2)C
InChI:   InChI=1/C24H20N2/c1-26-21(17-16-20-10-3-5-15-24(20)26)12-6-7-18-25-23-14-8-11-19-9-2-4-13-22(19)23/h2-18H,1H3/p+1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=140.412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.446 g/mol  logS: -6.21659  SlogP: 5.8157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00186004  Sterimol/B1: 2.42119  Sterimol/B2: 2.46708  Sterimol/B3: 2.53696
  Sterimol/B4: 7.3964  Sterimol/L: 20.7904 
 
 Surface and Volume Properties
  Accessible surface: 625.111  Positive charged surface: 334.772  Negative charged surface: 275.632  Volume: 351.875
  Hydrophobic surface: 586.822  Hydrophilic surface: 38.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.