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


APOLLO-ZINC02169688

 MMsINC code: MMs00050999
Type: Ionized
Formula: C9H8FO3-
SMILES:   Fc1cc(ccc1OC)CC(=O)[O-]
InChI:   InChI=1/C9H9FO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)/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)=41.5884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.158 g/mol  logS: -2.02156  SlogP: 0.12667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614683  Sterimol/B1: 2.90554  Sterimol/B2: 3.13473  Sterimol/B3: 3.22425
  Sterimol/B4: 4.60452  Sterimol/L: 11.87 
 
 Surface and Volume Properties
  Accessible surface: 366.31  Positive charged surface: 202.607  Negative charged surface: 163.703  Volume: 160
  Hydrophobic surface: 267.664  Hydrophilic surface: 98.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs00050998
APOLLO-ZINC02169688