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


ACROSORGANICS-ZINC01664716

 MMsINC code: MMs00010371
Type: Neutral
Formula: C13H12O
SMILES:   OC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H

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)=54.0157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.238 g/mol  logS: -2.9238  SlogP: 2.8638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178407  Sterimol/B1: 2.11298  Sterimol/B2: 3.58688  Sterimol/B3: 3.70761
  Sterimol/B4: 5.1083  Sterimol/L: 11.7074 
 
 Surface and Volume Properties
  Accessible surface: 392.273  Positive charged surface: 202.948  Negative charged surface: 189.325  Volume: 194.5
  Hydrophobic surface: 354.172  Hydrophilic surface: 38.101
 
 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.