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


PUBCHEM-ZINC05997891

 MMsINC code: MMs03481917
Type: Neutral
Formula: C7H15NO
SMILES:   O(CN1CCCCC1)C
InChI:   InChI=1/C7H15NO/c1-9-7-8-5-3-2-4-6-8/h2-7H2,1H3

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)=1.47832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.203 g/mol  logS: -0.09072  SlogP: 1.0762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207504  Sterimol/B1: 2.2981  Sterimol/B2: 3.53042  Sterimol/B3: 3.74431
  Sterimol/B4: 4.24331  Sterimol/L: 10.2831 
 
 Surface and Volume Properties
  Accessible surface: 336.267  Positive charged surface: 299.299  Negative charged surface: 36.9677  Volume: 145.25
  Hydrophobic surface: 316.149  Hydrophilic surface: 20.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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.