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


ENAMINE-ZINC03263966

 MMsINC code: MMs01338418
Type: Neutral
Formula: C13H8Cl2FNO4S
SMILES:   Clc1c(S(=O)(=O)Nc2ccccc2F)cc(cc1Cl)C(O)=O
InChI:   InChI=1/C13H8Cl2FNO4S/c14-8-5-7(13(18)19)6-11(12(8)15)22(20,21)17-10-4-2-1-3-9(10)16/h1-6,17H,(H,18,19)

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)=47.9371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.18 g/mol  logS: -4.77968  SlogP: 3.6315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149449  Sterimol/B1: 2.69398  Sterimol/B2: 4.3564  Sterimol/B3: 4.78576
  Sterimol/B4: 7.2495  Sterimol/L: 12.9481 
 
 Surface and Volume Properties
  Accessible surface: 499.14  Positive charged surface: 179.858  Negative charged surface: 319.282  Volume: 266.875
  Hydrophobic surface: 330.504  Hydrophilic surface: 168.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01338419
ENAMINE-ZINC03263966