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ASINEX-ZINC02988201

 MMsINC code: MMs00282753
Type: Neutral
Formula: C15H13N3O3S3
SMILES:   s1cccc1CC(=O)Nc1ccc(S(=O)(=O)Nc2sccn2)cc1
InChI:   InChI=1/C15H13N3O3S3/c19-14(10-12-2-1-8-22-12)17-11-3-5-13(6-4-11)24(20,21)18-15-16-7-9-23-15/h1-9H,10H2,(H,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=57.3525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.485 g/mol  logS: -4.35622  SlogP: 3.18657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0498078  Sterimol/B1: 3.56493  Sterimol/B2: 4.36774  Sterimol/B3: 4.61601
  Sterimol/B4: 5.04462  Sterimol/L: 17.7809 
 
 Surface and Volume Properties
  Accessible surface: 582.347  Positive charged surface: 295.955  Negative charged surface: 286.392  Volume: 311.625
  Hydrophobic surface: 428.815  Hydrophilic surface: 153.532
 
 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.