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


PUBCHEM-ZINC03756433

 MMsINC code: MMs03071128
Type: Neutral
Formula: C20H17F2NO2
SMILES:   Fc1cc(F)cc2c1nc(cc2C(O)=O)-c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C20H17F2NO2/c1-20(2,3)12-6-4-11(5-7-12)17-10-15(19(24)25)14-8-13(21)9-16(22)18(14)23-17/h4-10H,1-3H3,(H,24,25)

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)=98.6632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.357 g/mol  logS: -6.94754  SlogP: 5.1757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273815  Sterimol/B1: 2.37749  Sterimol/B2: 4.22242  Sterimol/B3: 4.87034
  Sterimol/B4: 6.71075  Sterimol/L: 16.4882 
 
 Surface and Volume Properties
  Accessible surface: 564.207  Positive charged surface: 294.652  Negative charged surface: 258.484  Volume: 313.875
  Hydrophobic surface: 403.034  Hydrophilic surface: 161.173
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03071129
PUBCHEM-ZINC03756433