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


PUBCHEM-ZINC05945971

 MMsINC code: MMs03455919
Type: Neutral
Formula: C13H10F2O2
SMILES:   Fc1cc(Oc2ccccc2CO)ccc1F
InChI:   InChI=1/C13H10F2O2/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2

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)=53.8861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.217 g/mol  logS: -3.52857  SlogP: 3.5158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118289  Sterimol/B1: 2.76434  Sterimol/B2: 3.65293  Sterimol/B3: 3.82964
  Sterimol/B4: 5.9697  Sterimol/L: 12.797 
 
 Surface and Volume Properties
  Accessible surface: 432.963  Positive charged surface: 237.288  Negative charged surface: 195.675  Volume: 208.75
  Hydrophobic surface: 374.535  Hydrophilic surface: 58.428
 
 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.