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


CHEMBRIDGE-ZINC02485430

 MMsINC code: MMs00710449
Type: Neutral
Formula: C8H20N2O
SMILES:   OC(CNC(C)(C)C)CNC
InChI:   InChI=1/C8H20N2O/c1-8(2,3)10-6-7(11)5-9-4/h7,9-11H,5-6H2,1-4H3/t7-/m0/s1

Download   format file 
Drug Similarity  |  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)=36.3654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.261 g/mol  logS: 0.09649  SlogP: -0.0452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110917  Sterimol/B1: 2.12693  Sterimol/B2: 2.78844  Sterimol/B3: 4.34316
  Sterimol/B4: 4.62011  Sterimol/L: 13.318 
 
 Surface and Volume Properties
  Accessible surface: 404.527  Positive charged surface: 323.272  Negative charged surface: 81.2549  Volume: 185.375
  Hydrophobic surface: 270.284  Hydrophilic surface: 134.243
 
 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


MMs00710450
CHEMBRIDGE-ZINC02485430