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PUBCHEM-ZINC05380006

 MMsINC code: MMs03252346
Type: Neutral
Formula: C19H17NOS2
SMILES:   S(c1cc(ccc1S(=O)Nc1ccccc1)C)c1ccccc1
InChI:   InChI=1/C19H17NOS2/c1-15-12-13-19(23(21)20-16-8-4-2-5-9-16)18(14-15)22-17-10-6-3-7-11-17/h2-14,20H,1H3/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=99.4894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.483 g/mol  logS: -6.51538  SlogP: 5.28092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732847  Sterimol/B1: 2.38729  Sterimol/B2: 3.71225  Sterimol/B3: 3.77548
  Sterimol/B4: 7.38447  Sterimol/L: 17.5358 
 
 Surface and Volume Properties
  Accessible surface: 593.423  Positive charged surface: 317.775  Negative charged surface: 275.648  Volume: 322.375
  Hydrophobic surface: 522.181  Hydrophilic surface: 71.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.