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


NCID-ZINC01666140

 MMsINC code: MMs02302308
Type: Neutral
Formula: C14H28N+
SMILES:   [NH+](CCC)(CCC)CC#CCCCCC
InChI:   InChI=1/C14H27N/c1-4-7-8-9-10-11-14-15(12-5-2)13-6-3/h4-9,12-14H2,1-3H3/p+1

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)=0.365938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.385 g/mol  logS: -3.83193  SlogP: 2.27501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0704423  Sterimol/B1: 2.79489  Sterimol/B2: 4.52118  Sterimol/B3: 4.56364
  Sterimol/B4: 4.88865  Sterimol/L: 16.5964 
 
 Surface and Volume Properties
  Accessible surface: 542.931  Positive charged surface: 428.508  Negative charged surface: 114.422  Volume: 269.25
  Hydrophobic surface: 425.52  Hydrophilic surface: 117.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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:  
   

Ions/Tautomers related molecules


MMs02302309
NCID-ZINC01666140