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


CHEMBLOCK-ZINC01445892

 MMsINC code: MMs00528130
Type: Neutral
Formula: C19H18F3NO4
SMILES:   FC(F)(F)Oc1ccc(NC(=O)CC(Cc2ccc(cc2)C)C(O)=O)cc1
InChI:   InChI=1/C19H18F3NO4/c1-12-2-4-13(5-3-12)10-14(18(25)26)11-17(24)23-15-6-8-16(9-7-15)27-19(20,21)22/h2-9,14H,10-11H2,1H3,(H,23,24)(H,25,26)/t14-/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)=98.6965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.35 g/mol  logS: -4.71383  SlogP: 4.58559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053402  Sterimol/B1: 2.56726  Sterimol/B2: 3.91612  Sterimol/B3: 4.0894
  Sterimol/B4: 6.23508  Sterimol/L: 19.2653 
 
 Surface and Volume Properties
  Accessible surface: 615.634  Positive charged surface: 330.786  Negative charged surface: 284.848  Volume: 327.625
  Hydrophobic surface: 406.244  Hydrophilic surface: 209.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00528131
CHEMBLOCK-ZINC01445892