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


NCID-ZINC01614873

 MMsINC code: MMs02264662
Type: Neutral
Formula: C4H11NO2
SMILES:   O(N(CCO)C)C
InChI:   InChI=1/C4H11NO2/c1-5(7-2)3-4-6/h6H,3-4H2,1-2H3

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)=22.5751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 105.137 g/mol  logS: 0.69649  SlogP: -0.5281  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.200662  Sterimol/B1: 2.38384  Sterimol/B2: 2.62243  Sterimol/B3: 3.1091
  Sterimol/B4: 5.49624  Sterimol/L: 8.34191 
 
 Surface and Volume Properties
  Accessible surface: 295.444  Positive charged surface: 269.361  Negative charged surface: 26.083  Volume: 111.875
  Hydrophobic surface: 247.261  Hydrophilic surface: 48.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.