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


NCID-ZINC04809415

 MMsINC code: MMs02409384
Type: Neutral
Formula: C4H10N2O2
SMILES:   O=C(NC(C)C)NO
InChI:   InChI=1/C4H10N2O2/c1-3(2)5-4(7)6-8/h3,8H,1-2H3,(H2,5,6,7)

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)=11.235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.136 g/mol  logS: -0.16813  SlogP: 0.0832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105535  Sterimol/B1: 2.37064  Sterimol/B2: 2.72653  Sterimol/B3: 3.13492
  Sterimol/B4: 4.63527  Sterimol/L: 10.416 
 
 Surface and Volume Properties
  Accessible surface: 302.603  Positive charged surface: 204.946  Negative charged surface: 97.6576  Volume: 114.375
  Hydrophobic surface: 116.915  Hydrophilic surface: 185.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.