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


PUBCHEM-ZINC05354946

 MMsINC code: MMs03246666
Type: Neutral
Formula: C4H10N-
SMILES:   [NH-]C(C)(C)C
InChI:   InChI=1/C4H10N/c1-4(2,3)5/h5H,1-3H3/q-1

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)=10.347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 72.131 g/mol  logS: -0.28792  SlogP: 1.0678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.589575  Sterimol/B1: 2.37507  Sterimol/B2: 2.54555  Sterimol/B3: 4.16936
  Sterimol/B4: 4.87416  Sterimol/L: 6.64377 
 
 Surface and Volume Properties
  Accessible surface: 250.554  Positive charged surface: 166.56  Negative charged surface: 83.994  Volume: 92.875
  Hydrophobic surface: 145.773  Hydrophilic surface: 104.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 1  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.