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


NCID-ZINC01628937

 MMsINC code: MMs02274616
Type: Neutral
Formula: C14H28N2+2
SMILES:   [NH+]12C([NH+]3C(CC1CCC)CCCC3)CCC2
InChI:   InChI=1/C14H26N2/c1-2-6-12-11-13-7-3-4-9-15(13)14-8-5-10-16(12)14/h12-14H,2-11H2,1H3/p+2/t12-,13-,14+/m0/s1

Download   format file 
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)=9.96459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.392 g/mol  logS: -1.91961  SlogP: 0.001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128083  Sterimol/B1: 2.44457  Sterimol/B2: 3.39762  Sterimol/B3: 4.21147
  Sterimol/B4: 7.16795  Sterimol/L: 12.9428 
 
 Surface and Volume Properties
  Accessible surface: 463.993  Positive charged surface: 398.62  Negative charged surface: 65.3732  Volume: 257.25
  Hydrophobic surface: 420.2  Hydrophilic surface: 43.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 3
 
 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:  
   

Ions/Tautomers related molecules


MMs02274617
NCID-ZINC01628937