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


ASINEX-ZINC03066196

 MMsINC code: MMs00285149
Type: Neutral
Formula: C17H26O
SMILES:   O(CC)c1ccc(cc1)C1CCC(CC1)CCC
InChI:   InChI=1/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3/t14-,15-

Download   format file 
Drug Similarity  |  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)=45.5635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.394 g/mol  logS: -6.25611  SlogP: 5.1592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509367  Sterimol/B1: 2.62488  Sterimol/B2: 3.2416  Sterimol/B3: 4.16115
  Sterimol/B4: 5.13499  Sterimol/L: 17.9538 
 
 Surface and Volume Properties
  Accessible surface: 537.471  Positive charged surface: 397.653  Negative charged surface: 139.818  Volume: 282
  Hydrophobic surface: 483.846  Hydrophilic surface: 53.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.