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


IBS-ZINC00991962

 MMsINC code: MMs01760011
Type: Neutral
Formula: C19H15Cl2NO3S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccc(cc2)C)cc1
InChI:   InChI=1/C19H15Cl2NO3S/c1-13-2-7-16(8-3-13)25-17-9-5-15(6-10-17)22-26(23,24)19-12-14(20)4-11-18(19)21/h2-12,22H,1H3

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)=65.9265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.305 g/mol  logS: -6.77193  SlogP: 5.89492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726958  Sterimol/B1: 3.90117  Sterimol/B2: 4.12278  Sterimol/B3: 4.46088
  Sterimol/B4: 6.02493  Sterimol/L: 16.9143 
 
 Surface and Volume Properties
  Accessible surface: 615.785  Positive charged surface: 271.326  Negative charged surface: 344.459  Volume: 344.625
  Hydrophobic surface: 544.12  Hydrophilic surface: 71.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.