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


ACROSORGANICS-ZINC01655626

 MMsINC code: MMs00010304
Type: Neutral
Formula: C6H16N2
SMILES:   N(CCCN)CCC
InChI:   InChI=1/C6H16N2/c1-2-5-8-6-3-4-7/h8H,2-7H2,1H3

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)=-8.61392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.208 g/mol  logS: 0.22041  SlogP: 0.3348  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.045291  Sterimol/B1: 2.4986  Sterimol/B2: 2.56719  Sterimol/B3: 2.74208
  Sterimol/B4: 3.10257  Sterimol/L: 13.1079 
 
 Surface and Volume Properties
  Accessible surface: 355.914  Positive charged surface: 302.905  Negative charged surface: 53.0094  Volume: 144.625
  Hydrophobic surface: 244.848  Hydrophilic surface: 111.066
 
 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


MMs00010305
ACROSORGANICS-ZINC01655626