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


PUBCHEM-ZINC05700926

 MMsINC code: MMs03353207
Type: Neutral
Formula: C3H7NO3
SMILES:   O(C(=O)NCO)C
InChI:   InChI=1/C3H7NO3/c1-7-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)

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)=-25.9298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 105.093 g/mol  logS: 0.65711  SlogP: -0.7078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669494  Sterimol/B1: 2.53515  Sterimol/B2: 2.61617  Sterimol/B3: 2.74982
  Sterimol/B4: 3.07293  Sterimol/L: 9.87576 
 
 Surface and Volume Properties
  Accessible surface: 273.536  Positive charged surface: 215.511  Negative charged surface: 58.0254  Volume: 94.75
  Hydrophobic surface: 128.844  Hydrophilic surface: 144.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.