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


ENAMINE-ZINC03394792

 MMsINC code: MMs01416115
Type: Neutral
Formula: C14H11Cl2NO4S
SMILES:   Clc1cc(S(=O)(=O)NCc2ccc(cc2)C(O)=O)ccc1Cl
InChI:   InChI=1/C14H11Cl2NO4S/c15-12-6-5-11(7-13(12)16)22(20,21)17-8-9-1-3-10(4-2-9)14(18)19/h1-7,17H,8H2,(H,18,19)

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)=22.9432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.217 g/mol  logS: -4.42874  SlogP: 3.4365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816325  Sterimol/B1: 3.10746  Sterimol/B2: 4.31073  Sterimol/B3: 5.02873
  Sterimol/B4: 5.71455  Sterimol/L: 17.1862 
 
 Surface and Volume Properties
  Accessible surface: 551.443  Positive charged surface: 216.875  Negative charged surface: 334.569  Volume: 286.5
  Hydrophobic surface: 372.763  Hydrophilic surface: 178.68
 
 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


MMs01416116
ENAMINE-ZINC03394792