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CHEMDIV-ZINC04874013

 MMsINC code: MMs00959153
Type: Neutral
Formula: C20H20N2O4S2
SMILES:   s1cccc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C20H20N2O4S2/c1-26-17-10-5-9-16(14-17)21-20(23)18(13-15-7-3-2-4-8-15)22-28(24,25)19-11-6-12-27-19/h2-12,14,18,22H,13H2,1H3,(H,21,23)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.46 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.522 g/mol  logS: -5.06405  SlogP: 3.28497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102315  Sterimol/B1: 3.88644  Sterimol/B2: 3.96322  Sterimol/B3: 5.24413
  Sterimol/B4: 6.1224  Sterimol/L: 17.4071 
 
 Surface and Volume Properties
  Accessible surface: 634.912  Positive charged surface: 360.097  Negative charged surface: 274.815  Volume: 372.5
  Hydrophobic surface: 523.741  Hydrophilic surface: 111.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.