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


PUBCHEM-ZINC03606176

 MMsINC code: MMs03020292
Type: Neutral
Formula: C6H14N2O
SMILES:   O=C(N)C(N)CCCC
InChI:   InChI=1/C6H14N2O/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/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)=15.5149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.191 g/mol  logS: -1.11988  SlogP: -0.0108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0966114  Sterimol/B1: 2.71582  Sterimol/B2: 3.17829  Sterimol/B3: 3.18353
  Sterimol/B4: 3.94319  Sterimol/L: 11.2108 
 
 Surface and Volume Properties
  Accessible surface: 340.529  Positive charged surface: 255.995  Negative charged surface: 84.5339  Volume: 142
  Hydrophobic surface: 162.813  Hydrophilic surface: 177.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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


MMs03020293
PUBCHEM-ZINC03606176