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PUBCHEM-ZINC05128818

 MMsINC code: MMs03206391
Type: Neutral
Formula: C24H20N2O2S
SMILES:   S(=O)(=O)(\N=C(\Nc1ccccc1)/c1ccccc1C)c1cc2c(cc1)cccc2
InChI:   InChI=1/C24H20N2O2S/c1-18-9-5-8-14-23(18)24(25-21-12-3-2-4-13-21)26-29(27,28)22-16-15-19-10-6-7-11-20(19)17-22/h2-17H,1H3,(H,25,26)

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Potential Energy
Epot(MMFF94)=144.796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.502 g/mol  logS: -7.84839  SlogP: 5.39582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0791014  Sterimol/B1: 3.55366  Sterimol/B2: 3.78405  Sterimol/B3: 4.26563
  Sterimol/B4: 6.90678  Sterimol/L: 17.977 
 
 Surface and Volume Properties
  Accessible surface: 646.14  Positive charged surface: 334.215  Negative charged surface: 301.391  Volume: 377.125
  Hydrophobic surface: 586.318  Hydrophilic surface: 59.822
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.