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


ENAMINE-ZINC00531765

 MMsINC code: MMs01232688
Type: Neutral
Formula: C15H10F2N2O
SMILES:   Fc1ccccc1-c1[nH]nc(c1)-c1cc(F)ccc1O
InChI:   InChI=1/C15H10F2N2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-8,20H,(H,18,19)

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)=62.7802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.254 g/mol  logS: -4.83929  SlogP: 3.7275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187802  Sterimol/B1: 2.18463  Sterimol/B2: 3.04455  Sterimol/B3: 3.19587
  Sterimol/B4: 5.58601  Sterimol/L: 15.3569 
 
 Surface and Volume Properties
  Accessible surface: 473.281  Positive charged surface: 238.624  Negative charged surface: 234.657  Volume: 238.375
  Hydrophobic surface: 377.033  Hydrophilic surface: 96.248
 
 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: no related molecules available.