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


PUBCHEM-ZINC04557091

 MMsINC code: MMs03133762
Type: Neutral
Formula: C16H32O2
SMILES:   OC(=O)CCCCCCCCCCCCC(C)C
InChI:   InChI=1/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

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)=1.53165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.43 g/mol  logS: -6.49337  SlogP: 5.4082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0163997  Sterimol/B1: 2.36858  Sterimol/B2: 2.68566  Sterimol/B3: 3.29231
  Sterimol/B4: 4.22132  Sterimol/L: 23.1299 
 
 Surface and Volume Properties
  Accessible surface: 613.004  Positive charged surface: 488.288  Negative charged surface: 124.716  Volume: 299.25
  Hydrophobic surface: 473.173  Hydrophilic surface: 139.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03133763
PUBCHEM-ZINC04557091