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


PUBCHEM-ZINC02022939

 MMsINC code: MMs02857092
Type: Neutral
Formula: C5H10N2O2
SMILES:   OC(=O)C1NNCCC1
InChI:   InChI=1/C5H10N2O2/c8-5(9)4-2-1-3-6-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/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)=27.0777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: 0.57858  SlogP: -0.6724  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.13118  Sterimol/B1: 2.33873  Sterimol/B2: 2.70118  Sterimol/B3: 3.03555
  Sterimol/B4: 4.65942  Sterimol/L: 9.93212 
 
 Surface and Volume Properties
  Accessible surface: 300.28  Positive charged surface: 222.367  Negative charged surface: 77.913  Volume: 123.125
  Hydrophobic surface: 148.177  Hydrophilic surface: 152.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02857093
PUBCHEM-ZINC02022939