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


PUBCHEM-ZINC05767125

 MMsINC code: MMs03380010
Type: Neutral
Formula: C15H26O3
SMILES:   OC(\C=C\C(O)C(O)(C)C)(C)C1CCC(=CC1)C
InChI:   InChI=1/C15H26O3/c1-11-5-7-12(8-6-11)15(4,18)10-9-13(16)14(2,3)17/h5,9-10,12-13,16-18H,6-8H2,1-4H3/b10-9+/t12-,13-,15+/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)=64.6261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.37 g/mol  logS: -1.81082  SlogP: 2.1718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107952  Sterimol/B1: 2.20259  Sterimol/B2: 3.26281  Sterimol/B3: 3.55057
  Sterimol/B4: 6.81066  Sterimol/L: 14.6988 
 
 Surface and Volume Properties
  Accessible surface: 501.239  Positive charged surface: 340.156  Negative charged surface: 161.083  Volume: 274.125
  Hydrophobic surface: 325.868  Hydrophilic surface: 175.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.