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


PUBCHEM-ZINC05919346

 MMsINC code: MMs03443529
Type: Neutral
Formula: C15H14Cl2N2O4S
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)NNS(=O)(=O)c1ccccc1)C
InChI:   InChI=1/C15H14Cl2N2O4S/c1-10(23-14-8-7-11(16)9-13(14)17)15(20)18-19-24(21,22)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,18,20)/t10-/m0/s1

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)=108.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.259 g/mol  logS: -5.4305  SlogP: 2.7704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657627  Sterimol/B1: 2.09946  Sterimol/B2: 4.45511  Sterimol/B3: 4.83463
  Sterimol/B4: 6.17786  Sterimol/L: 17.3074 
 
 Surface and Volume Properties
  Accessible surface: 604.696  Positive charged surface: 243.194  Negative charged surface: 361.503  Volume: 314.25
  Hydrophobic surface: 459.966  Hydrophilic surface: 144.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.