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


TYGER-ZINC02513031

 MMsINC code: MMs03950243
Type: Neutral
Formula: C13H8F2O2
SMILES:   Fc1cc(cc(F)c1)-c1cc(ccc1)C(O)=O
InChI:   InChI=1/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-2-1-3-9(4-8)13(16)17/h1-7H,(H,16,17)

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)=46.4569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.201 g/mol  logS: -4.37062  SlogP: 3.33  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.37308e-07  Sterimol/B1: 2.09789  Sterimol/B2: 2.10243  Sterimol/B3: 2.52398
  Sterimol/B4: 6.50668  Sterimol/L: 13.2662 
 
 Surface and Volume Properties
  Accessible surface: 414.936  Positive charged surface: 170.662  Negative charged surface: 233.203  Volume: 200.875
  Hydrophobic surface: 318.38  Hydrophilic surface: 96.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03950244
TYGER-ZINC02513031