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


ASINEX-ZINC02379200

 MMsINC code: MMs00270521
Type: Neutral
Formula: C5H12N2
SMILES:   N(N)C1CCCC1
InChI:   InChI=1/C5H12N2/c6-7-5-3-1-2-4-5/h5,7H,1-4,6H2

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)=30.5174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 100.165 g/mol  logS: -0.21775  SlogP: 0.3923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.275251  Sterimol/B1: 2.47066  Sterimol/B2: 2.69908  Sterimol/B3: 3.60473
  Sterimol/B4: 4.43984  Sterimol/L: 8.45845 
 
 Surface and Volume Properties
  Accessible surface: 282.284  Positive charged surface: 226.838  Negative charged surface: 55.4461  Volume: 113.375
  Hydrophobic surface: 192.983  Hydrophilic surface: 89.301
 
 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


MMs00270522
ASINEX-ZINC02379200