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


NCID-ZINC01755848

 MMsINC code: MMs02364548
Type: Neutral
Formula: C7H7F3N2O3
SMILES:   FC(F)(F)COCC1=CNC(=O)NC1=O
InChI:   InChI=1/C7H7F3N2O3/c8-7(9,10)3-15-2-4-1-11-6(14)12-5(4)13/h1H,2-3H2,(H2,11,12,13,14)

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)=4.71955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.138 g/mol  logS: -1.64827  SlogP: 0.7085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0332142  Sterimol/B1: 2.63743  Sterimol/B2: 2.63971  Sterimol/B3: 2.82416
  Sterimol/B4: 5.11496  Sterimol/L: 12.8237 
 
 Surface and Volume Properties
  Accessible surface: 375.437  Positive charged surface: 171.633  Negative charged surface: 203.804  Volume: 163.625
  Hydrophobic surface: 104.349  Hydrophilic surface: 271.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.