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


PUBCHEM-ZINC04202763

 MMsINC code: MMs03099021
Type: Neutral
Formula: C6H11NO2
SMILES:   O(C(=O)C1CCNC1)C
InChI:   InChI=1/C6H11NO2/c1-9-6(8)5-2-3-7-4-5/h5,7H,2-4H2,1H3/t5-/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)=11.6839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: 0.12726  SlogP: -0.2311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118292  Sterimol/B1: 2.9766  Sterimol/B2: 3.33775  Sterimol/B3: 3.41442
  Sterimol/B4: 3.66567  Sterimol/L: 10.473 
 
 Surface and Volume Properties
  Accessible surface: 320.204  Positive charged surface: 270.346  Negative charged surface: 49.8583  Volume: 129.125
  Hydrophobic surface: 251.215  Hydrophilic surface: 68.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03099022
PUBCHEM-ZINC04202763