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


OAKWOOD-ZINC04290657

 MMsINC code: MMs02551232
Type: Neutral
Formula: C6H16N2
SMILES:   N(CCC)CCNC
InChI:   InChI=1/C6H16N2/c1-3-4-8-6-5-7-2/h7-8H,3-6H2,1-2H3

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)=2.58954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.208 g/mol  logS: 0.3466  SlogP: 0.2054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043651  Sterimol/B1: 2.66942  Sterimol/B2: 2.67023  Sterimol/B3: 2.7095
  Sterimol/B4: 3.08578  Sterimol/L: 13.2589 
 
 Surface and Volume Properties
  Accessible surface: 354.971  Positive charged surface: 313.37  Negative charged surface: 41.6011  Volume: 145.875
  Hydrophobic surface: 286.384  Hydrophilic surface: 68.587
 
 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


MMs02551234
OAKWOOD-ZINC04290657


MMs02551233
OAKWOOD-ZINC04290657