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


NCID-ZINC01593352

 MMsINC code: MMs02247713
Type: Neutral
Formula: C16H18O2
SMILES:   OC(=O)C(C(Cc1c2c(ccc1)cccc2)C)C
InChI:   InChI=1/C16H18O2/c1-11(12(2)16(17)18)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H,17,18)/t11-,12-/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)=62.6881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.318 g/mol  logS: -4.40776  SlogP: 3.73907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11125  Sterimol/B1: 2.95399  Sterimol/B2: 3.15332  Sterimol/B3: 4.12998
  Sterimol/B4: 6.82591  Sterimol/L: 13.276 
 
 Surface and Volume Properties
  Accessible surface: 464.057  Positive charged surface: 266.39  Negative charged surface: 186.359  Volume: 251
  Hydrophobic surface: 346.791  Hydrophilic surface: 117.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02247714
NCID-ZINC01593352