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


ACROSORGANICS-ZINC01648987

MMsINC code: MMs00010256

Type: Neutral
Formula: C4H11N
SMILES:   N(CCC)C
InChI:   InChI=1/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3

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)=-3.01626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 73.139 g/mol  logS: 0.11354  SlogP: 0.6158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100211  Sterimol/B1: 2.31697  Sterimol/B2: 2.50392  Sterimol/B3: 2.75271
  Sterimol/B4: 3.19439  Sterimol/L: 9.64909 
 
 Surface and Volume Properties
  Accessible surface: 267.317  Positive charged surface: 230.635  Negative charged surface: 36.6827  Volume: 97.75
  Hydrophobic surface: 218.15  Hydrophilic surface: 49.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs00010257
ACROSORGANICS-ZINC01648987