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PUBCHEM-ZINC05649473

 MMsINC code: MMs03335536
Type: Neutral
Formula: C26H50N2+2
SMILES:   [N+](Cc1ccc(cc1)C[N+](CCC)(CCC)CCC)(CCC)(CCC)CCC
InChI:   InChI=1/C26H50N2/c1-7-17-27(18-8-2,19-9-3)23-25-13-15-26(16-14-25)24-28(20-10-4,21-11-5)22-12-6/h13-16H,7-12,17-24H2,1-6H3/q+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=172.184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.7 g/mol  logS: -4.0409  SlogP: 7.313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049909  Sterimol/B1: 2.37491  Sterimol/B2: 2.62965  Sterimol/B3: 3.99361
  Sterimol/B4: 9.7705  Sterimol/L: 19.3685 
 
 Surface and Volume Properties
  Accessible surface: 706.827  Positive charged surface: 523.523  Negative charged surface: 183.304  Volume: 460.125
  Hydrophobic surface: 539.114  Hydrophilic surface: 167.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.