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


ENAMINE-ZINC01688937

MMsINC code: MMs01243389

Type: Neutral
Formula: C4H12N2
SMILES:   N(N)CCCC
InChI:   InChI=1/C4H12N2/c1-2-3-4-6-5/h6H,2-5H2,1H3

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)=12.9854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 88.154 g/mol  logS: -0.30603  SlogP: 0.2498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.072697  Sterimol/B1: 2.54928  Sterimol/B2: 2.55254  Sterimol/B3: 2.77213
  Sterimol/B4: 3.09056  Sterimol/L: 10.6069 
 
 Surface and Volume Properties
  Accessible surface: 291.168  Positive charged surface: 232.84  Negative charged surface: 58.3279  Volume: 108.5
  Hydrophobic surface: 166.411  Hydrophilic surface: 124.757
 
 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:  
   

Ions/Tautomers related molecules


MMs01243390
ENAMINE-ZINC01688937