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ENAMINE-ZINC03406667

 MMsINC code: MMs01423227
Type: Neutral
Formula: C19H16ClNO2S
SMILES:   Clc1ccccc1S(=O)(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H16ClNO2S/c20-17-13-7-8-14-18(17)24(22,23)21-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,21H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.3002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.861 g/mol  logS: -5.49295  SlogP: 4.5034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240815  Sterimol/B1: 2.53633  Sterimol/B2: 3.44948  Sterimol/B3: 5.46875
  Sterimol/B4: 8.54005  Sterimol/L: 13.7954 
 
 Surface and Volume Properties
  Accessible surface: 559.145  Positive charged surface: 262.378  Negative charged surface: 296.767  Volume: 324.625
  Hydrophobic surface: 501.652  Hydrophilic surface: 57.493
 
 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.