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


PUBCHEM-ZINC05758047

 MMsINC code: MMs03372852
Type: Neutral
Formula: C15H32O
SMILES:   OCCCCCCCCCCCCC(C)C
InChI:   InChI=1/C15H32O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3

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)=7.5797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.42 g/mol  logS: -6.09962  SlogP: 4.9258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185324  Sterimol/B1: 2.10876  Sterimol/B2: 2.53197  Sterimol/B3: 3.41251
  Sterimol/B4: 4.49602  Sterimol/L: 21.9102 
 
 Surface and Volume Properties
  Accessible surface: 589.655  Positive charged surface: 489.35  Negative charged surface: 100.305  Volume: 284.5
  Hydrophobic surface: 495.065  Hydrophilic surface: 94.59
 
 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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.