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


NCID-ZINC04691838

 MMsINC code: MMs02393471
Type: Neutral
Formula: C26H44O2
SMILES:   O(C(=O)c1ccccc1)C(CCC(CCCC)CC)CCC(CCCC)CC
InChI:   InChI=1/C26H44O2/c1-5-9-14-22(7-3)18-20-25(21-19-23(8-4)15-10-6-2)28-26(27)24-16-12-11-13-17-24/h11-13,16-17,22-23,25H,5-10,14-15,18-21H2,1-4H3/t22-,23-/m0/s1

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)=67.7769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.636 g/mol  logS: -10.0377  SlogP: 8.2052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132456  Sterimol/B1: 4.96168  Sterimol/B2: 5.942  Sterimol/B3: 6.15814
  Sterimol/B4: 8.75496  Sterimol/L: 18.0366 
 
 Surface and Volume Properties
  Accessible surface: 802.849  Positive charged surface: 577.905  Negative charged surface: 224.945  Volume: 450.375
  Hydrophobic surface: 695.829  Hydrophilic surface: 107.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.