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


NCID-ZINC01615769

 MMsINC code: MMs02265369
Type: Neutral
Formula: C4H7N3O2
SMILES:   O=C1NCCN1C(=O)N
InChI:   InChI=1/C4H7N3O2/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H2,5,8)(H,6,9)

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)=-15.2737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.119 g/mol  logS: 0.0183  SlogP: -0.9097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584965  Sterimol/B1: 2.32153  Sterimol/B2: 2.38214  Sterimol/B3: 2.42591
  Sterimol/B4: 4.92969  Sterimol/L: 8.809 
 
 Surface and Volume Properties
  Accessible surface: 280.835  Positive charged surface: 206.458  Negative charged surface: 74.377  Volume: 109.125
  Hydrophobic surface: 95.6889  Hydrophilic surface: 185.1461
 
 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.