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


PUBCHEM-ZINC05759964

 MMsINC code: MMs03373559
Type: Neutral
Formula: C15H30O2
SMILES:   O(C(=O)C)CC(CC(CC(CC(C)C)C)C)C
InChI:   InChI=1/C15H30O2/c1-11(2)7-12(3)8-13(4)9-14(5)10-17-15(6)16/h11-14H,7-10H2,1-6H3/t12-,13-,14+/m0/s1

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)=42.3684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.403 g/mol  logS: -5.3738  SlogP: 4.2841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0858486  Sterimol/B1: 3.09165  Sterimol/B2: 3.44533  Sterimol/B3: 3.87768
  Sterimol/B4: 6.51017  Sterimol/L: 16.4979 
 
 Surface and Volume Properties
  Accessible surface: 544.749  Positive charged surface: 382.769  Negative charged surface: 161.98  Volume: 284.625
  Hydrophobic surface: 406.05  Hydrophilic surface: 138.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.