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


CHEMBRIDGE-ZINC04728938

 MMsINC code: MMs00780962
Type: Neutral
Formula: C19H38N2O
SMILES:   O=C(N(CCCN(C)C)C1CCCCCCCCCCC1)C
InChI:   InChI=1/C19H38N2O/c1-18(22)21(17-13-16-20(2)3)19-14-11-9-7-5-4-6-8-10-12-15-19/h19H,4-17H2,1-3H3

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)=112.551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.526 g/mol  logS: -4.3266  SlogP: 4.4599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17976  Sterimol/B1: 2.33483  Sterimol/B2: 2.6535  Sterimol/B3: 6.17599
  Sterimol/B4: 8.26369  Sterimol/L: 15.2247 
 
 Surface and Volume Properties
  Accessible surface: 593.964  Positive charged surface: 484.749  Negative charged surface: 109.215  Volume: 359.25
  Hydrophobic surface: 560.015  Hydrophilic surface: 33.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00780963
CHEMBRIDGE-ZINC04728938