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


ASINEX-ZINC00283719

 MMsINC code: MMs00108146
Type: Neutral
Formula: C13H10FNO
SMILES:   Fc1ccc(cc1)C(=O)c1ccc(N)cc1
InChI:   InChI=1/C13H10FNO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,15H2

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)=77.3309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.227 g/mol  logS: -3.47355  SlogP: 2.6389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0268784  Sterimol/B1: 2.24507  Sterimol/B2: 2.82143  Sterimol/B3: 3.086
  Sterimol/B4: 5.58247  Sterimol/L: 13.2283 
 
 Surface and Volume Properties
  Accessible surface: 410.766  Positive charged surface: 216.67  Negative charged surface: 194.096  Volume: 201.25
  Hydrophobic surface: 313.846  Hydrophilic surface: 96.92
 
 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.