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


PUBCHEM-ZINC02519697

 MMsINC code: MMs02891983
Type: Neutral
Formula: C7H10N2O3
SMILES:   O=C1N(CC(=O)NC)C(=O)CC1
InChI:   InChI=1/C7H10N2O3/c1-8-5(10)4-9-6(11)2-3-7(9)12/h2-4H2,1H3,(H,8,10)

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)=-4.57868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.168 g/mol  logS: -0.12968  SlogP: -1.1186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124447  Sterimol/B1: 2.23473  Sterimol/B2: 3.91904  Sterimol/B3: 3.98627
  Sterimol/B4: 4.00801  Sterimol/L: 11.4805 
 
 Surface and Volume Properties
  Accessible surface: 358.504  Positive charged surface: 253.361  Negative charged surface: 105.143  Volume: 153.75
  Hydrophobic surface: 219.879  Hydrophilic surface: 138.625
 
 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.