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


ASINEX-ZINC04832959

 MMsINC code: MMs00375900
Type: Neutral
Formula: C18H35NO2
SMILES:   O(C(=O)C)CCCCCCCCCCCN1CCCCC1
InChI:   InChI=1/C18H35NO2/c1-18(20)21-17-13-8-6-4-2-3-5-7-10-14-19-15-11-9-12-16-19/h2-17H2,1H3

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)=9.07487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.483 g/mol  logS: -4.04129  SlogP: 4.5463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139956  Sterimol/B1: 3.01498  Sterimol/B2: 3.2907  Sterimol/B3: 3.33008
  Sterimol/B4: 4.27812  Sterimol/L: 24.5895 
 
 Surface and Volume Properties
  Accessible surface: 688.587  Positive charged surface: 565.278  Negative charged surface: 123.309  Volume: 339.875
  Hydrophobic surface: 638.536  Hydrophilic surface: 50.051
 
 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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00375901
ASINEX-ZINC04832959