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


ENAMINE-ZINC02653526

 MMsINC code: MMs01277056
Type: Ionized
Formula: C14H10Cl2NO4S-
SMILES:   Clc1cc(S(=O)(=O)Nc2ccc(cc2)CC(=O)[O-])ccc1Cl
InChI:   InChI=1/C14H11Cl2NO4S/c15-12-6-5-11(8-13(12)16)22(20,21)17-10-3-1-9(2-4-10)7-14(18)19/h1-6,8,17H,7H2,(H,18,19)/p-1

Download   format file 
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)=32.431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.209 g/mol  logS: -4.80662  SlogP: 2.08657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234899  Sterimol/B1: 3.10413  Sterimol/B2: 4.60786  Sterimol/B3: 5.09522
  Sterimol/B4: 6.04187  Sterimol/L: 12.9069 
 
 Surface and Volume Properties
  Accessible surface: 523.743  Positive charged surface: 187.892  Negative charged surface: 335.851  Volume: 284.5
  Hydrophobic surface: 348.686  Hydrophilic surface: 175.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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:  
   
Parent related molecule:


MMs01277055
ENAMINE-ZINC02653526