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


PUBCHEM-ZINC04098300

 MMsINC code: MMs03090923
Type: Neutral
Formula: C15H26O2
SMILES:   OC1(CCC2C(CC(O)C2C(C)=C)(C)C1C)C
InChI:   InChI=1/C15H26O2/c1-9(2)13-11-6-7-15(5,17)10(3)14(11,4)8-12(13)16/h10-13,16-17H,1,6-8H2,2-5H3/t10-,11-,12+,13+,14+,15+/m1/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)=132.781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.371 g/mol  logS: -2.38364  SlogP: 2.7467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.299711  Sterimol/B1: 2.48191  Sterimol/B2: 2.97916  Sterimol/B3: 4.94154
  Sterimol/B4: 6.15106  Sterimol/L: 10.9432 
 
 Surface and Volume Properties
  Accessible surface: 436.293  Positive charged surface: 308.018  Negative charged surface: 128.275  Volume: 256.25
  Hydrophobic surface: 284.888  Hydrophilic surface: 151.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.