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


PUBCHEM-ZINC05767734

 MMsINC code: MMs03380368
Type: Neutral
Formula: C11H12O2
SMILES:   OC1C(=Cc2c(cccc2)C1O)C
InChI:   InChI=1/C11H12O2/c1-7-6-8-4-2-3-5-9(8)11(13)10(7)12/h2-6,10-13H,1H3/t10-,11+/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)=53.7189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.215 g/mol  logS: -1.59853  SlogP: 1.5933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951048  Sterimol/B1: 2.80732  Sterimol/B2: 3.5024  Sterimol/B3: 3.7136
  Sterimol/B4: 5.37497  Sterimol/L: 10.9573 
 
 Surface and Volume Properties
  Accessible surface: 367.549  Positive charged surface: 223.232  Negative charged surface: 144.317  Volume: 175.25
  Hydrophobic surface: 285.306  Hydrophilic surface: 82.243
 
 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: no related molecules available.