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


NCID-ZINC01699922

MMsINC code: MMs02329818

Type: Neutral
Formula: C5H11NO3
SMILES:   O(CCC(N)C(O)=O)C
InChI:   InChI=1/C5H11NO3/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

Download   format file 
Drug Similarity  |  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)=24.5797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.147 g/mol  logS: 0.37785  SlogP: -0.5652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083364  Sterimol/B1: 2.79794  Sterimol/B2: 2.84337  Sterimol/B3: 3.07326
  Sterimol/B4: 4.07867  Sterimol/L: 11.0241 
 
 Surface and Volume Properties
  Accessible surface: 322.961  Positive charged surface: 245.899  Negative charged surface: 77.0617  Volume: 128.25
  Hydrophobic surface: 168.989  Hydrophilic surface: 153.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.