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


NCID-ZINC01871186

 MMsINC code: MMs02376314
Type: Neutral
Formula: C14H30NO2+
SMILES:   OC(=O)C[N+](CCCC)(CCCC)CCCC
InChI:   InChI=1/C14H29NO2/c1-4-7-10-15(11-8-5-2,12-9-6-3)13-14(16)17/h4-13H2,1-3H3/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)=86.5393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.399 g/mol  logS: -2.48649  SlogP: 3.2881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123341  Sterimol/B1: 2.40892  Sterimol/B2: 2.65399  Sterimol/B3: 3.37506
  Sterimol/B4: 10.6361  Sterimol/L: 14.6323 
 
 Surface and Volume Properties
  Accessible surface: 529.876  Positive charged surface: 398.049  Negative charged surface: 131.827  Volume: 276.75
  Hydrophobic surface: 367.479  Hydrophilic surface: 162.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.