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


MDPI-ZINC03847714

 MMsINC code: MMs02181224
Type: Neutral
Formula: C8H7FO
SMILES:   Fc1c2c(CC2O)ccc1
InChI:   InChI=1/C8H7FO/c9-6-3-1-2-5-4-7(10)8(5)6/h1-3,7,10H,4H2/t7-/m1/s1

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)=28.6024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.141 g/mol  logS: -1.63475  SlogP: 1.51067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746383  Sterimol/B1: 2.54892  Sterimol/B2: 2.78204  Sterimol/B3: 3.44083
  Sterimol/B4: 4.62438  Sterimol/L: 9.0928 
 
 Surface and Volume Properties
  Accessible surface: 309.594  Positive charged surface: 123.011  Negative charged surface: 123.626  Volume: 129.125
  Hydrophobic surface: 256.335  Hydrophilic surface: 53.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.