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


PUBCHEM-ZINC06521420

 MMsINC code: MMs03779807
Type: Neutral
Formula: C17H16F2N2O5
SMILES:   FC1C(F)C(OC1COC(=O)c1ccccc1)N1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C17H16F2N2O5/c1-9-7-21(17(24)20-14(9)22)15-13(19)12(18)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15H,8H2,1H3,(H,20,22,24)/t11-,12-,13+,15-/m1/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)=51.6326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.32 g/mol  logS: -3.31967  SlogP: 2.5399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0883346  Sterimol/B1: 2.48609  Sterimol/B2: 3.06355  Sterimol/B3: 4.71454
  Sterimol/B4: 7.94595  Sterimol/L: 17.1592 
 
 Surface and Volume Properties
  Accessible surface: 589.433  Positive charged surface: 329.793  Negative charged surface: 259.641  Volume: 306.75
  Hydrophobic surface: 383.719  Hydrophilic surface: 205.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.