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


PUBCHEM-ZINC06031334

 MMsINC code: MMs03503886
Type: Neutral
Formula: C15H24O
SMILES:   OC1CC(C)C2(CC(CCC2=C1)C(C)=C)C
InChI:   InChI=1/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3/t11-,12-,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)=59.0948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.356 g/mol  logS: -4.45427  SlogP: 3.696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210522  Sterimol/B1: 1.98749  Sterimol/B2: 3.39977  Sterimol/B3: 3.96566
  Sterimol/B4: 7.02723  Sterimol/L: 12.6431 
 
 Surface and Volume Properties
  Accessible surface: 447.816  Positive charged surface: 311.899  Negative charged surface: 135.917  Volume: 246.25
  Hydrophobic surface: 318.381  Hydrophilic surface: 129.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.