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


PUBCHEM-ZINC05828630

 MMsINC code: MMs03404055
Type: Neutral
Formula: C5H12N2-2
SMILES:   [NH-]CCCCC[NH-]
InChI:   InChI=1/C5H12N2/c6-4-2-1-3-5-7/h6-7H,1-5H2/q-2

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)=9.40116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 100.165 g/mol  logS: 0.37265  SlogP: 0.7225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686848  Sterimol/B1: 2.11458  Sterimol/B2: 2.37496  Sterimol/B3: 2.37589
  Sterimol/B4: 2.99827  Sterimol/L: 11.6881 
 
 Surface and Volume Properties
  Accessible surface: 310.121  Positive charged surface: 220.199  Negative charged surface: 89.922  Volume: 120.75
  Hydrophobic surface: 190.782  Hydrophilic surface: 119.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  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: no related molecules available.