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


PUBCHEM-ZINC05833146

 MMsINC code: MMs03406581
Type: Ionized
Formula: C14H25N2+
SMILES:   [NH+](CCC)(CCC)C1Cc2n(CC1)ccc2
InChI:   InChI=1/C14H24N2/c1-3-8-15(9-4-2)14-7-11-16-10-5-6-13(16)12-14/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3/p+1/t14-/m0/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)=25.7555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.368 g/mol  logS: -1.19213  SlogP: 1.77417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186494  Sterimol/B1: 2.28248  Sterimol/B2: 4.01619  Sterimol/B3: 4.12073
  Sterimol/B4: 8.8374  Sterimol/L: 13.0337 
 
 Surface and Volume Properties
  Accessible surface: 493.535  Positive charged surface: 367.24  Negative charged surface: 126.296  Volume: 259.25
  Hydrophobic surface: 416.107  Hydrophilic surface: 77.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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:


MMs03406580
PUBCHEM-ZINC05833146