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MAYBRIDGE-ZINC04297038

 MMsINC code: MMs02163034
Type: Neutral
Formula: C18H16N2O3S2
SMILES:   s1c(cc(NS(=O)(=O)c2ccc(cc2)C)c1C(=O)N)-c1ccccc1
InChI:   InChI=1/C18H16N2O3S2/c1-12-7-9-14(10-8-12)25(22,23)20-15-11-16(24-17(15)18(19)21)13-5-3-2-4-6-13/h2-11,20H,1H3,(H2,19,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.4975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.469 g/mol  logS: -5.97461  SlogP: 3.62322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214103  Sterimol/B1: 2.20378  Sterimol/B2: 2.3589  Sterimol/B3: 6.83352
  Sterimol/B4: 9.12033  Sterimol/L: 14.435 
 
 Surface and Volume Properties
  Accessible surface: 589.12  Positive charged surface: 287.662  Negative charged surface: 301.458  Volume: 325
  Hydrophobic surface: 421.92  Hydrophilic surface: 167.2
 
 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.