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MAYBRIDGE-ZINC01027880

MMsINC code: MMs02148907

Type: Neutral
Formula: C19H17NO3S2
SMILES:   s1c(cc(NS(=O)(=O)c2ccc(cc2)C)c1C(=O)C)-c1ccccc1
InChI:   InChI=1/C19H17NO3S2/c1-13-8-10-16(11-9-13)25(22,23)20-17-12-18(24-19(17)14(2)21)15-6-4-3-5-7-15/h3-12,20H,1-2H3

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Potential Energy
Epot(MMFF94)=60.7381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.481 g/mol  logS: -6.03476  SlogP: 4.72692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226773  Sterimol/B1: 2.23104  Sterimol/B2: 2.39688  Sterimol/B3: 7.15692
  Sterimol/B4: 9.48109  Sterimol/L: 14.4318 
 
 Surface and Volume Properties
  Accessible surface: 600.02  Positive charged surface: 290.17  Negative charged surface: 309.85  Volume: 332.75
  Hydrophobic surface: 498.296  Hydrophilic surface: 101.724
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.