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PUBCHEM-ZINC06886231

 MMsINC code: MMs03890627
Type: Neutral
Formula: C17H13Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1CNS(=O)(=O)c1cc2c(cc1)cccc2
InChI:   InChI=1/C17H13Cl2NO2S/c18-15-6-8-17(19)14(9-15)11-20-23(21,22)16-7-5-12-3-1-2-4-13(12)10-16/h1-10,20H,11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.1331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.268 g/mol  logS: -6.33722  SlogP: 4.8915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100074  Sterimol/B1: 3.77588  Sterimol/B2: 4.43942  Sterimol/B3: 4.67065
  Sterimol/B4: 6.20539  Sterimol/L: 15.9681 
 
 Surface and Volume Properties
  Accessible surface: 570.487  Positive charged surface: 218.161  Negative charged surface: 341.255  Volume: 309.125
  Hydrophobic surface: 495.184  Hydrophilic surface: 75.303
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.