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PUBCHEM-ZINC06069906

 MMsINC code: MMs03522801
Type: Neutral
Formula: C26H32N4+2
SMILES:   [n+]1(c2c(cccc2)c(N)cc1C)CCCCCC[n+]1c2c(cccc2)c(N)cc1C
InChI:   InChI=1/C26H30N4/c1-19-17-23(27)21-11-5-7-13-25(21)29(19)15-9-3-4-10-16-30-20(2)18-24(28)22-12-6-8-14-26(22)30/h5-8,11-14,17-18,27-28H,3-4,9-10,15-16H2,1-2H3/p+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.57 g/mol  logS: -4.97116  SlogP: 5.14264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0270773  Sterimol/B1: 2.31696  Sterimol/B2: 2.70816  Sterimol/B3: 3.88582
  Sterimol/B4: 8.43714  Sterimol/L: 20.2007 
 
 Surface and Volume Properties
  Accessible surface: 710.662  Positive charged surface: 471.74  Negative charged surface: 227.893  Volume: 420.5
  Hydrophobic surface: 570.924  Hydrophilic surface: 139.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  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.