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


PUBCHEM-ZINC05847056

 MMsINC code: MMs03414307
Type: Neutral
Formula: C6H12N2-2
SMILES:   [N-]1CCCCC1C[NH-]
InChI:   InChI=1/C6H12N2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2/q-2/t6-/m0/s1

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)=49.5892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 112.176 g/mol  logS: 0.14823  SlogP: 1.1955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147557  Sterimol/B1: 2.57523  Sterimol/B2: 2.58304  Sterimol/B3: 3.21729
  Sterimol/B4: 4.86115  Sterimol/L: 9.81109 
 
 Surface and Volume Properties
  Accessible surface: 302.243  Positive charged surface: 220.484  Negative charged surface: 81.7588  Volume: 126.125
  Hydrophobic surface: 233.21  Hydrophilic surface: 69.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 2  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: no related molecules available.