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


PUBCHEM-ZINC06483024

 MMsINC code: MMs03759410
Type: Neutral
Formula: C12H11ClF3NO4
SMILES:   Clc1cc2c(NC(OC2(OCCOC)C(F)(F)F)=O)cc1
InChI:   InChI=1/C12H11ClF3NO4/c1-19-4-5-20-11(12(14,15)16)8-6-7(13)2-3-9(8)17-10(18)21-11/h2-3,6H,4-5H2,1H3,(H,17,18)/t11-/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)=59.2966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.67 g/mol  logS: -3.94471  SlogP: 4.0116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160658  Sterimol/B1: 3.46734  Sterimol/B2: 4.22355  Sterimol/B3: 5.50047
  Sterimol/B4: 5.51907  Sterimol/L: 12.2794 
 
 Surface and Volume Properties
  Accessible surface: 489.076  Positive charged surface: 248.791  Negative charged surface: 240.285  Volume: 246.75
  Hydrophobic surface: 318.219  Hydrophilic surface: 170.857
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.