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CHEMBLOCK-ZINC01444230

 MMsINC code: MMs00527781
Type: Neutral
Formula: C23H22N2O3S
SMILES:   S(=O)(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(cc1)C1CC(=O)NC1
InChI:   InChI=1/C23H22N2O3S/c26-22-15-20(16-24-22)17-11-13-21(14-12-17)29(27,28)25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,20,23,25H,15-16H2,(H,24,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.506 g/mol  logS: -4.87158  SlogP: 3.4535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125528  Sterimol/B1: 3.5392  Sterimol/B2: 4.1642  Sterimol/B3: 5.19195
  Sterimol/B4: 6.375  Sterimol/L: 17.9809 
 
 Surface and Volume Properties
  Accessible surface: 621.987  Positive charged surface: 348.424  Negative charged surface: 273.563  Volume: 379.75
  Hydrophobic surface: 463.068  Hydrophilic surface: 158.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.