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


OAKWOOD-ZINC02528961

 MMsINC code: MMs02544750
Type: Ionized
Formula: C13H7F2O2-
SMILES:   Fc1cc(F)ccc1-c1cc(ccc1)C(=O)[O-]
InChI:   InChI=1/C13H8F2O2/c14-10-4-5-11(12(15)7-10)8-2-1-3-9(6-8)13(16)17/h1-7H,(H,16,17)/p-1

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)=46.8764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.193 g/mol  logS: -4.63107  SlogP: 1.9953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0679898  Sterimol/B1: 2.44177  Sterimol/B2: 2.44633  Sterimol/B3: 3.42529
  Sterimol/B4: 6.29973  Sterimol/L: 13.3256 
 
 Surface and Volume Properties
  Accessible surface: 416.042  Positive charged surface: 168.815  Negative charged surface: 242.753  Volume: 200.375
  Hydrophobic surface: 326.555  Hydrophilic surface: 89.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:  
   
Parent related molecule:


MMs02544749
OAKWOOD-ZINC02528961