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


ASINEX-ZINC04502674

 MMsINC code: MMs00344418
Type: Neutral
Formula: C8H15NO2
SMILES:   OC(=O)CN1CC(CCC1)C
InChI:   InChI=1/C8H15NO2/c1-7-3-2-4-9(5-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/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)=26.923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.44019  SlogP: 0.8029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102034  Sterimol/B1: 2.4821  Sterimol/B2: 2.90182  Sterimol/B3: 3.11908
  Sterimol/B4: 5.45652  Sterimol/L: 11.7573 
 
 Surface and Volume Properties
  Accessible surface: 356.059  Positive charged surface: 274.252  Negative charged surface: 81.8071  Volume: 161.5
  Hydrophobic surface: 239.159  Hydrophilic surface: 116.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.