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


PUBCHEM-ZINC06037877

 MMsINC code: MMs03507954
Type: Neutral
Formula: C5H10N2O2
SMILES:   O1CC(N(N=O)CC1)C
InChI:   InChI=1/C5H10N2O2/c1-5-4-9-3-2-7(5)6-8/h5H,2-4H2,1H3/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)=37.7824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: -0.40952  SlogP: 0.3885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191921  Sterimol/B1: 2.73392  Sterimol/B2: 3.12201  Sterimol/B3: 4.01136
  Sterimol/B4: 4.35328  Sterimol/L: 8.81511 
 
 Surface and Volume Properties
  Accessible surface: 293.83  Positive charged surface: 206.338  Negative charged surface: 87.4922  Volume: 122.25
  Hydrophobic surface: 260.538  Hydrophilic surface: 33.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.