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


OAKWOOD-ZINC04255270

 MMsINC code: MMs02550256
Type: Neutral
Formula: C8H8F2O
SMILES:   Fc1cc(ccc1F)CCO
InChI:   InChI=1/C8H8F2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4H2

Download   format file 
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)=26.2126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.147 g/mol  logS: -1.80733  SlogP: 1.49957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089551  Sterimol/B1: 2.44372  Sterimol/B2: 2.62483  Sterimol/B3: 2.80651
  Sterimol/B4: 5.03997  Sterimol/L: 11.0858 
 
 Surface and Volume Properties
  Accessible surface: 327.993  Positive charged surface: 183.291  Negative charged surface: 144.702  Volume: 139.5
  Hydrophobic surface: 274.599  Hydrophilic surface: 53.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.