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PUBCHEM-ZINC06214078

MMsINC code: MMs03617182

Type: Neutral
Formula: C23H19NO2S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)Cc1ccccc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C23H19NO2S/c25-27(26,23-14-13-20-10-4-5-11-21(20)17-23)24-22-12-6-9-19(16-22)15-18-7-2-1-3-8-18/h1-14,16-17,24H,15H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=75.1821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.476 g/mol  logS: -7.04098  SlogP: 5.23137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144642  Sterimol/B1: 3.31855  Sterimol/B2: 5.00381  Sterimol/B3: 5.78839
  Sterimol/B4: 5.95991  Sterimol/L: 16.7499 
 
 Surface and Volume Properties
  Accessible surface: 624.437  Positive charged surface: 326.11  Negative charged surface: 288.119  Volume: 357.75
  Hydrophobic surface: 544.01  Hydrophilic surface: 80.427
 
 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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.