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


NCID-ZINC05807780

 MMsINC code: MMs02498050
Type: Neutral
Formula: C14H30N2+2
SMILES:   [NH2+](CC)C1CC(CC=C1C)C([NH2+]CC)(C)C
InChI:   InChI=1/C14H28N2/c1-6-15-13-10-12(9-8-11(13)3)14(4,5)16-7-2/h8,12-13,15-16H,6-7,9-10H2,1-5H3/p+2/t12-,13+/m1/s1

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)=32.9431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.408 g/mol  logS: -1.21611  SlogP: 0.6565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153897  Sterimol/B1: 2.46558  Sterimol/B2: 2.96035  Sterimol/B3: 5.2013
  Sterimol/B4: 7.72126  Sterimol/L: 13.7072 
 
 Surface and Volume Properties
  Accessible surface: 501.851  Positive charged surface: 388.976  Negative charged surface: 112.875  Volume: 273.75
  Hydrophobic surface: 382.9  Hydrophilic surface: 118.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 2
 
 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


MMs02498051
NCID-ZINC05807780