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


PUBCHEM-ZINC06157552

 MMsINC code: MMs03568574
Type: Neutral
Formula: C13H14F2N2O2
SMILES:   FC(F)Oc1ccc(cc1)/C(=N/NC(=O)C1CC1)/C
InChI:   InChI=1/C13H14F2N2O2/c1-8(16-17-12(18)10-2-3-10)9-4-6-11(7-5-9)19-13(14)15/h4-7,10,13H,2-3H2,1H3,(H,17,18)/b16-8-

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)=97.5747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.263 g/mol  logS: -2.51952  SlogP: 2.9581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.065971  Sterimol/B1: 2.17152  Sterimol/B2: 3.24049  Sterimol/B3: 3.42229
  Sterimol/B4: 8.02353  Sterimol/L: 14.2198 
 
 Surface and Volume Properties
  Accessible surface: 493.319  Positive charged surface: 270.427  Negative charged surface: 222.892  Volume: 242.375
  Hydrophobic surface: 304.467  Hydrophilic surface: 188.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.