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


PUBCHEM-ZINC00967436

 MMsINC code: MMs02746026
Type: Neutral
Formula: C15H12O
SMILES:   OCc1cc2c(cc1)cc1c(c2)cccc1
InChI:   InChI=1/C15H12O/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9,16H,10H2

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)=56.6711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.26 g/mol  logS: -4.91166  SlogP: 3.7517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129735  Sterimol/B1: 2.34127  Sterimol/B2: 2.8015  Sterimol/B3: 4.1548
  Sterimol/B4: 4.47101  Sterimol/L: 13.92 
 
 Surface and Volume Properties
  Accessible surface: 435.381  Positive charged surface: 234.068  Negative charged surface: 179.171  Volume: 215
  Hydrophobic surface: 370.947  Hydrophilic surface: 64.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.