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


APOLLO-ZINC02379552

 MMsINC code: MMs00051528
Type: Neutral
Formula: C7H4F2O3
SMILES:   Fc1c(F)c(O)ccc1C(O)=O
InChI:   InChI=1/C7H4F2O3/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2,10H,(H,11,12)

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)=27.8752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.102 g/mol  logS: -1.58229  SlogP: 1.3686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00753715  Sterimol/B1: 2.13471  Sterimol/B2: 2.17517  Sterimol/B3: 2.60804
  Sterimol/B4: 5.13938  Sterimol/L: 10.3995 
 
 Surface and Volume Properties
  Accessible surface: 310.646  Positive charged surface: 153.831  Negative charged surface: 156.815  Volume: 129.625
  Hydrophobic surface: 168.395  Hydrophilic surface: 142.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00051529
APOLLO-ZINC02379552