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


ACROSORGANICS-ZINC02034511

MMsINC code: MMs00012536

Type: Neutral
Formula: C4H12N+
SMILES:   [NH+](CC)(C)C
InChI:   InChI=1/C4H11N/c1-4-5(2)3/h4H2,1-3H3/p+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)=7.39902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 74.147 g/mol  logS: 0.20875  SlogP: -0.8492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213419  Sterimol/B1: 2.57629  Sterimol/B2: 3.09497  Sterimol/B3: 3.23546
  Sterimol/B4: 3.56813  Sterimol/L: 8.3801 
 
 Surface and Volume Properties
  Accessible surface: 262.929  Positive charged surface: 241.9  Negative charged surface: 21.0289  Volume: 100.125
  Hydrophobic surface: 181.359  Hydrophilic surface: 81.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs00012537
ACROSORGANICS-ZINC02034511