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CHEMSTAR-ZINC01450838

 MMsINC code: MMs01078593
Type: Neutral
Formula: C16H12ClN3O3S2
SMILES:   Clc1ccc(cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2sccn2)cc1
InChI:   InChI=1/C16H12ClN3O3S2/c17-12-3-1-11(2-4-12)15(21)19-13-5-7-14(8-6-13)25(22,23)20-16-18-9-10-24-16/h1-10H,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=63.4288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.875 g/mol  logS: -5.22237  SlogP: 3.8496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345891  Sterimol/B1: 3.02517  Sterimol/B2: 4.01373  Sterimol/B3: 4.11505
  Sterimol/B4: 6.09853  Sterimol/L: 18.2459 
 
 Surface and Volume Properties
  Accessible surface: 587.977  Positive charged surface: 265.303  Negative charged surface: 322.674  Volume: 318.375
  Hydrophobic surface: 435.822  Hydrophilic surface: 152.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.