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


PUBCHEM-ZINC06091107

 MMsINC code: MMs03537078
Type: Neutral
Formula: C8H10FNO2
SMILES:   Fc1cc(O)c(O)cc1CCN
InChI:   InChI=1/C8H10FNO2/c9-6-4-8(12)7(11)3-5(6)1-2-10/h3-4,11-12H,1-2,10H2

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)=28.6534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.171 g/mol  logS: -0.68235  SlogP: 0.73807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0763431  Sterimol/B1: 2.68946  Sterimol/B2: 2.83602  Sterimol/B3: 3.00196
  Sterimol/B4: 5.02104  Sterimol/L: 11.5249 
 
 Surface and Volume Properties
  Accessible surface: 357.92  Positive charged surface: 239.124  Negative charged surface: 118.796  Volume: 153.875
  Hydrophobic surface: 191.791  Hydrophilic surface: 166.129
 
 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


MMs03537079
PUBCHEM-ZINC06091107