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


PUBCHEM-ZINC05734517

 MMsINC code: MMs03364837
Type: Neutral
Formula: C14H24O
SMILES:   OC1(C2C(C=CCC2)C(CCC1)(C)C)C
InChI:   InChI=1/C14H24O/c1-13(2)9-6-10-14(3,15)12-8-5-4-7-11(12)13/h4,7,11-12,15H,5-6,8-10H2,1-3H3/t11-,12+,14-/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)=109.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -3.21308  SlogP: 3.5299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.291923  Sterimol/B1: 2.05106  Sterimol/B2: 4.05533  Sterimol/B3: 4.86821
  Sterimol/B4: 6.26914  Sterimol/L: 10.2268 
 
 Surface and Volume Properties
  Accessible surface: 400.65  Positive charged surface: 296.072  Negative charged surface: 104.579  Volume: 229.375
  Hydrophobic surface: 307.289  Hydrophilic surface: 93.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.