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


PUBCHEM-ZINC00344342

 MMsINC code: MMs02659893
Type: Neutral
Formula: C10H7F6NO3
SMILES:   FC(F)(F)C(O)(C(F)(F)F)c1cc(N)c(cc1)C(O)=O
InChI:   InChI=1/C10H7F6NO3/c11-9(12,13)8(20,10(14,15)16)4-1-2-5(7(18)19)6(17)3-4/h1-3,20H,17H2,(H,18,19)

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)=96.5935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.158 g/mol  logS: -3.01216  SlogP: 3.4305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11381  Sterimol/B1: 2.43231  Sterimol/B2: 3.85813  Sterimol/B3: 3.91352
  Sterimol/B4: 5.77863  Sterimol/L: 12.1684 
 
 Surface and Volume Properties
  Accessible surface: 409.867  Positive charged surface: 161.466  Negative charged surface: 248.401  Volume: 202.625
  Hydrophobic surface: 78.1031  Hydrophilic surface: 331.7639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02659894
PUBCHEM-ZINC00344342