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


PUBCHEM-ZINC06482343

 MMsINC code: MMs03758690
Type: Neutral
Formula: C4H10N2O3
SMILES:   O(C(=O)C(N)CON)C
InChI:   InChI=1/C4H10N2O3/c1-8-4(7)3(5)2-9-6/h3H,2,5-6H2,1H3/t3-/m1/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)=44.0835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.135 g/mol  logS: 0.08137  SlogP: -1.623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0809354  Sterimol/B1: 2.53136  Sterimol/B2: 2.70696  Sterimol/B3: 3.04289
  Sterimol/B4: 4.70542  Sterimol/L: 10.9753 
 
 Surface and Volume Properties
  Accessible surface: 327.189  Positive charged surface: 254.057  Negative charged surface: 73.1326  Volume: 125.125
  Hydrophobic surface: 154.711  Hydrophilic surface: 172.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.