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


ENAMINE-ZINC00403626

 MMsINC code: MMs01229950
Type: Neutral
Formula: C6H10N2O3
SMILES:   OC(=O)C1N(CCC1)C(=O)N
InChI:   InChI=1/C6H10N2O3/c7-6(11)8-3-1-2-4(8)5(9)10/h4H,1-3H2,(H2,7,11)(H,9,10)/t4-/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)=-2.08668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.157 g/mol  logS: -0.15255  SlogP: -0.3859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160599  Sterimol/B1: 2.33524  Sterimol/B2: 2.91294  Sterimol/B3: 3.16135
  Sterimol/B4: 6.0374  Sterimol/L: 9.2044 
 
 Surface and Volume Properties
  Accessible surface: 323.582  Positive charged surface: 223.897  Negative charged surface: 99.6842  Volume: 139.5
  Hydrophobic surface: 144.905  Hydrophilic surface: 178.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01229951
ENAMINE-ZINC00403626