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


PUBCHEM-ZINC05847917

 MMsINC code: MMs03414874
Type: Neutral
Formula: C5H10N2O2
SMILES:   OC(=O)C1(N)CCNC1
InChI:   InChI=1/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/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)=32.8852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: 0.60471  SlogP: -1.2382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.33542  Sterimol/B1: 2.39377  Sterimol/B2: 2.91267  Sterimol/B3: 3.85572
  Sterimol/B4: 4.43698  Sterimol/L: 9.10739 
 
 Surface and Volume Properties
  Accessible surface: 294.206  Positive charged surface: 223.164  Negative charged surface: 71.0425  Volume: 122.25
  Hydrophobic surface: 127.578  Hydrophilic surface: 166.628
 
 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: no related molecules available.