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


PUBCHEM-ZINC02017337

 MMsINC code: MMs02853142
Type: Neutral
Formula: C15H22O2
SMILES:   OC(=O)c1c(C)c(cc(C(C)C)c1C)C(C)C
InChI:   InChI=1/C15H22O2/c1-8(2)12-7-13(9(3)4)11(6)14(10(12)5)15(16)17/h7-9H,1-6H3,(H,16,17)

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)=69.9784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.339 g/mol  logS: -5.31084  SlogP: 4.24844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200959  Sterimol/B1: 3.55127  Sterimol/B2: 3.7431  Sterimol/B3: 4.40839
  Sterimol/B4: 6.10198  Sterimol/L: 10.166 
 
 Surface and Volume Properties
  Accessible surface: 475.34  Positive charged surface: 303.298  Negative charged surface: 172.042  Volume: 253.5
  Hydrophobic surface: 317.852  Hydrophilic surface: 157.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02853143
PUBCHEM-ZINC02017337