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PUBCHEM-ZINC04529682

MMsINC code: MMs03129185

Type: Neutral
Formula: C24H26N2O+2
SMILES:   O(CC[n+]1c2c(ccc1C)cccc2)CC[n+]1c2c(ccc1C)cccc2
InChI:   InChI=1/C24H26N2O/c1-19-11-13-21-7-3-5-9-23(21)25(19)15-17-27-18-16-26-20(2)12-14-22-8-4-6-10-24(22)26/h3-14H,15-18H2,1-2H3/q+2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=152.687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.485 g/mol  logS: -4.86496  SlogP: 4.43444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474746  Sterimol/B1: 2.44192  Sterimol/B2: 2.94089  Sterimol/B3: 3.62584
  Sterimol/B4: 8.37709  Sterimol/L: 17.4862 
 
 Surface and Volume Properties
  Accessible surface: 648.944  Positive charged surface: 404.401  Negative charged surface: 234.105  Volume: 372.25
  Hydrophobic surface: 608.035  Hydrophilic surface: 40.909
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  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.