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PUBCHEM-ZINC01195931

 MMsINC code: MMs02786208
Type: Neutral
Formula: C19H16ClNO4S2
SMILES:   Clc1ccc(S(=O)(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2)cc1
InChI:   InChI=1/C19H16ClNO4S2/c1-14-5-2-3-8-19(14)21-27(24,25)18-7-4-6-17(13-18)26(22,23)16-11-9-15(20)10-12-16/h2-13,21H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.925 g/mol  logS: -5.90603  SlogP: 4.28202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144398  Sterimol/B1: 4.05612  Sterimol/B2: 4.77408  Sterimol/B3: 5.31267
  Sterimol/B4: 5.78173  Sterimol/L: 16.9116 
 
 Surface and Volume Properties
  Accessible surface: 613.377  Positive charged surface: 258.424  Negative charged surface: 354.953  Volume: 352.5
  Hydrophobic surface: 491.526  Hydrophilic surface: 121.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.