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


PUBCHEM-ZINC06257525

 MMsINC code: MMs03643151
Type: Neutral
Formula: C19H21F3N2O5
SMILES:   FC(F)(F)c1ccc(cc1)CNC(=O)C(NC(=O)C=1OC(CC(=O)C=1)(C)C)CO
InChI:   InChI=1/C19H21F3N2O5/c1-18(2)8-13(26)7-15(29-18)17(28)24-14(10-25)16(27)23-9-11-3-5-12(6-4-11)19(20,21)22/h3-7,14,25H,8-10H2,1-2H3,(H,23,27)(H,24,28)/t14-/m1/s1

Download   format file 
Drug Similarity  |  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)=83.8829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.38 g/mol  logS: -4.16635  SlogP: 2.0285  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0498914  Sterimol/B1: 2.31295  Sterimol/B2: 3.33723  Sterimol/B3: 5.64846
  Sterimol/B4: 5.81111  Sterimol/L: 20.5013 
 
 Surface and Volume Properties
  Accessible surface: 676.603  Positive charged surface: 354.198  Negative charged surface: 322.405  Volume: 355.75
  Hydrophobic surface: 362.63  Hydrophilic surface: 313.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.