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


APOLLO-ZINC02556448

 MMsINC code: MMs00053404
Type: Neutral
Formula: C7H13NO2
SMILES:   OC(=O)C1CCCN(C1)C
InChI:   InChI=1/C7H13NO2/c1-8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/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)=2.25851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: 0.20687  SlogP: 0.4128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133917  Sterimol/B1: 2.42808  Sterimol/B2: 2.81512  Sterimol/B3: 2.93836
  Sterimol/B4: 5.80579  Sterimol/L: 9.89692 
 
 Surface and Volume Properties
  Accessible surface: 324.703  Positive charged surface: 263.71  Negative charged surface: 60.9929  Volume: 146.375
  Hydrophobic surface: 232.221  Hydrophilic surface: 92.482
 
 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.