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CHEMBLOCK-ZINC01234468

MMsINC code: MMs00517769

Type: Neutral
Formula: C14H12Cl2N2O3S
SMILES:   Clc1ccc(Cl)cc1NC(=O)NS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H12Cl2N2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-13-8-10(15)4-7-12(13)16/h2-8H,1H3,(H2,17,18,19)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=9.05839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.233 g/mol  logS: -5.41764  SlogP: 3.81222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140965  Sterimol/B1: 2.37694  Sterimol/B2: 4.475  Sterimol/B3: 5.23077
  Sterimol/B4: 7.83496  Sterimol/L: 13.8704 
 
 Surface and Volume Properties
  Accessible surface: 556.626  Positive charged surface: 226.917  Negative charged surface: 329.709  Volume: 287.25
  Hydrophobic surface: 446.317  Hydrophilic surface: 110.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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

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Ions/Tautomers related molecules: no related molecules available.