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


ASINEX-ZINC03881157

 MMsINC code: MMs00291581
Type: Neutral
Formula: C8H15NO2
SMILES:   OC(=O)CN1CCCCCC1
InChI:   InChI=1/C8H15NO2/c10-8(11)7-9-5-3-1-2-4-6-9/h1-7H2,(H,10,11)

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)=41.0234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.44019  SlogP: 0.947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169659  Sterimol/B1: 2.33907  Sterimol/B2: 3.01967  Sterimol/B3: 3.65913
  Sterimol/B4: 4.89298  Sterimol/L: 10.8986 
 
 Surface and Volume Properties
  Accessible surface: 345.885  Positive charged surface: 269.303  Negative charged surface: 76.5826  Volume: 162.125
  Hydrophobic surface: 255.354  Hydrophilic surface: 90.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.