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


PUBCHEM-ZINC06520133

 MMsINC code: MMs03778648
Type: Neutral
Formula: C14H14Cl2N2O4S
SMILES:   Clc1cc(SC=2N(COCCO)C(=O)NC(=O)C=2C)cc(Cl)c1
InChI:   InChI=1/C14H14Cl2N2O4S/c1-8-12(20)17-14(21)18(7-22-3-2-19)13(8)23-11-5-9(15)4-10(16)6-11/h4-6,19H,2-3,7H2,1H3,(H,17,20,21)

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)=24.4574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.248 g/mol  logS: -4.60869  SlogP: 2.8352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.257022  Sterimol/B1: 2.30971  Sterimol/B2: 3.36746  Sterimol/B3: 6.70122
  Sterimol/B4: 8.04604  Sterimol/L: 13.9698 
 
 Surface and Volume Properties
  Accessible surface: 559.859  Positive charged surface: 267.696  Negative charged surface: 292.163  Volume: 306.125
  Hydrophobic surface: 373.798  Hydrophilic surface: 186.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.