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NCID-ZINC01634509

 MMsINC code: MMs02278503
Type: Neutral
Formula: C18H15NO2S2
SMILES:   S(=NS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C18H15NO2S2/c20-23(21,18-14-8-3-9-15-18)19-22(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H

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Potential Energy
Epot(MMFF94)=93.6123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.455 g/mol  logS: -6.15103  SlogP: 4.4005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171327  Sterimol/B1: 2.55813  Sterimol/B2: 3.14139  Sterimol/B3: 5.40282
  Sterimol/B4: 9.2825  Sterimol/L: 14.1008 
 
 Surface and Volume Properties
  Accessible surface: 566.251  Positive charged surface: 291.942  Negative charged surface: 274.309  Volume: 310.5
  Hydrophobic surface: 521.234  Hydrophilic surface: 45.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 3  Basic groups: 1
  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.