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PUBCHEM-ZINC00722852

 MMsINC code: MMs02733333
Type: Neutral
Formula: C24H20N2O3S
SMILES:   S(=O)(=O)(NNC(=O)C(c1ccccc1)c1ccccc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C24H20N2O3S/c27-24(23(19-10-3-1-4-11-19)20-12-5-2-6-13-20)25-26-30(28,29)22-16-15-18-9-7-8-14-21(18)17-22/h1-17,23,26H,(H,25,27)

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Potential Energy
Epot(MMFF94)=144.557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.501 g/mol  logS: -7.1397  SlogP: 3.9814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165154  Sterimol/B1: 3.52001  Sterimol/B2: 5.31284  Sterimol/B3: 6.23948
  Sterimol/B4: 6.48033  Sterimol/L: 17.3102 
 
 Surface and Volume Properties
  Accessible surface: 682.862  Positive charged surface: 336.433  Negative charged surface: 335.791  Volume: 386.75
  Hydrophobic surface: 572.766  Hydrophilic surface: 110.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.