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


OTAVA-ZINC00953531

 MMsINC code: MMs02557933
Type: Neutral
Formula: C24H20F3NO4
SMILES:   FC(F)(F)c1cc(NC(=O)c2ccc(OC(C(OCc3ccccc3)=O)C)cc2)ccc1
InChI:   InChI=1/C24H20F3NO4/c1-16(23(30)31-15-17-6-3-2-4-7-17)32-21-12-10-18(11-13-21)22(29)28-20-9-5-8-19(14-20)24(25,26)27/h2-14,16H,15H2,1H3,(H,28,29)/t16-/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)=124.796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.421 g/mol  logS: -6.96508  SlogP: 6.0463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.037841  Sterimol/B1: 2.12374  Sterimol/B2: 4.9668  Sterimol/B3: 5.89299
  Sterimol/B4: 6.06809  Sterimol/L: 22.1321 
 
 Surface and Volume Properties
  Accessible surface: 732.615  Positive charged surface: 355.46  Negative charged surface: 377.156  Volume: 392.75
  Hydrophobic surface: 525.266  Hydrophilic surface: 207.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.