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


PUBCHEM-ZINC00027627

 MMsINC code: MMs02627048
Type: Neutral
Formula: C9H20NO+
SMILES:   OC1CCCC1C[N+](C)(C)C
InChI:   InChI=1/C9H20NO/c1-10(2,3)7-8-5-4-6-9(8)11/h8-9,11H,4-7H2,1-3H3/q+1/t8-,9+/m1/s1

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)=68.4541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.265 g/mol  logS: 0.01401  SlogP: 0.8536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194295  Sterimol/B1: 2.09877  Sterimol/B2: 3.38849  Sterimol/B3: 4.27926
  Sterimol/B4: 4.62979  Sterimol/L: 10.7208 
 
 Surface and Volume Properties
  Accessible surface: 363.147  Positive charged surface: 324.837  Negative charged surface: 38.3104  Volume: 178.625
  Hydrophobic surface: 267.469  Hydrophilic surface: 95.678
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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: no related molecules available.