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


NCID-ZINC01563620

 MMsINC code: MMs02225399
Type: Ionized
Formula: C13H8F6NO5-
SMILES:   FC(F)(F)C(=O)NC(Cc1ccc(OC(=O)C(F)(F)F)cc1)C(=O)[O-]
InChI:   InChI=1/C13H9F6NO5/c14-12(15,16)10(23)20-8(9(21)22)5-6-1-3-7(4-2-6)25-11(24)13(17,18)19/h1-4,8H,5H2,(H,20,23)(H,21,22)/p-1/t8-/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)=107.471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.197 g/mol  logS: -4.36091  SlogP: 1.33357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837295  Sterimol/B1: 2.76182  Sterimol/B2: 3.2464  Sterimol/B3: 4.11248
  Sterimol/B4: 6.69618  Sterimol/L: 15.1372 
 
 Surface and Volume Properties
  Accessible surface: 522.514  Positive charged surface: 152.104  Negative charged surface: 370.41  Volume: 263
  Hydrophobic surface: 152.717  Hydrophilic surface: 369.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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:  
   
Parent related molecule:


MMs02225398
NCID-ZINC01563620