logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC02004335

 MMsINC code: MMs02845163
Type: Ionized
Formula: C20H44N4+4
SMILES:   [NH2+](CC1CCC(CC1)C[NH2+]C1CC[NH+](CC1)C)C1CC[NH+](CC1)C
InChI:   InChI=1/C20H40N4/c1-23-11-7-19(8-12-23)21-15-17-3-5-18(6-4-17)16-22-20-9-13-24(2)14-10-20/h17-22H,3-16H2,1-2H3/p+4/t17-,18+

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=59.5351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.6 g/mol  logS: -1.03598  SlogP: -2.7262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437819  Sterimol/B1: 2.74431  Sterimol/B2: 2.99696  Sterimol/B3: 4.63242
  Sterimol/B4: 6.50962  Sterimol/L: 21.9027 
 
 Surface and Volume Properties
  Accessible surface: 686.791  Positive charged surface: 646.044  Negative charged surface: 40.747  Volume: 394.5
  Hydrophobic surface: 563.971  Hydrophilic surface: 122.82
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs02845162
PUBCHEM-ZINC02004335