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


APOLLO-ZINC02562249

 MMsINC code: MMs00053927
Type: Neutral
Formula: C7H3F2NO
SMILES:   Fc1c(F)c(O)ccc1C#N
InChI:   InChI=1/C7H3F2NO/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,11H

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)=26.721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.103 g/mol  logS: -1.96382  SlogP: 1.54208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0106794  Sterimol/B1: 2.19284  Sterimol/B2: 2.20432  Sterimol/B3: 2.42096
  Sterimol/B4: 5.08897  Sterimol/L: 10.4139 
 
 Surface and Volume Properties
  Accessible surface: 302.056  Positive charged surface: 133.759  Negative charged surface: 168.297  Volume: 122.25
  Hydrophobic surface: 175.513  Hydrophilic surface: 126.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.