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


CHEMBRIDGE-ZINC00614669

 MMsINC code: MMs00634051
Type: Neutral
Formula: C15H14F2N2O3
SMILES:   FC1=CN(C2OCCC2)C(=O)N(Cc2ccccc2F)C1=O
InChI:   InChI=1/C15H14F2N2O3/c16-11-5-2-1-4-10(11)8-19-14(20)12(17)9-18(15(19)21)13-6-3-7-22-13/h1-2,4-5,9,13H,3,6-8H2/t13-/m0/s1

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)=49.9386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.284 g/mol  logS: -3.22894  SlogP: 2.9126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140442  Sterimol/B1: 2.2148  Sterimol/B2: 4.2717  Sterimol/B3: 4.80688
  Sterimol/B4: 5.91571  Sterimol/L: 12.5889 
 
 Surface and Volume Properties
  Accessible surface: 477.137  Positive charged surface: 290.135  Negative charged surface: 187.002  Volume: 263.5
  Hydrophobic surface: 407.326  Hydrophilic surface: 69.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.