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


PUBCHEM-ZINC02016600

 MMsINC code: MMs02852590
Type: Neutral
Formula: C10H22NO2+
SMILES:   O(C(=O)CC[N+](C)(C)C)CCCC
InChI:   InChI=1/C10H22NO2/c1-5-6-9-13-10(12)7-8-11(2,3)4/h5-9H2,1-4H3/q+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)=29.9223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.291 g/mol  logS: -0.69234  SlogP: 1.426  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0518926  Sterimol/B1: 2.58342  Sterimol/B2: 3.57392  Sterimol/B3: 3.57415
  Sterimol/B4: 3.89013  Sterimol/L: 15.7744 
 
 Surface and Volume Properties
  Accessible surface: 455.756  Positive charged surface: 389.933  Negative charged surface: 65.8226  Volume: 211.875
  Hydrophobic surface: 338.765  Hydrophilic surface: 116.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.