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


MAYBRIDGE-ZINC01606363

 MMsINC code: MMs02157953
Type: Tautomer
Formula: C6H16N4
SMILES:   N(CCN(C)C)(C(N)=N)C
InChI:   InChI=1/C6H16N4/c1-9(2)4-5-10(3)6(7)8/h4-5H2,1-3H3,(H3,7,8)

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)=-6.30939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.222 g/mol  logS: 0.29702  SlogP: -0.62673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131697  Sterimol/B1: 2.28521  Sterimol/B2: 2.68795  Sterimol/B3: 3.80843
  Sterimol/B4: 5.03381  Sterimol/L: 11.0032 
 
 Surface and Volume Properties
  Accessible surface: 358.198  Positive charged surface: 319.242  Negative charged surface: 38.9558  Volume: 161.875
  Hydrophobic surface: 241.964  Hydrophilic surface: 116.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:  
   
Parent related molecule:


MMs02157952
MAYBRIDGE-ZINC01606363