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ENAMINE-ZINC03258299

 MMsINC code: MMs01335038
Type: Neutral
Formula: C16H12ClN3O3S2
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sccn2)cc1
InChI:   InChI=1/C16H12ClN3O3S2/c17-11-5-7-12(8-6-11)25(22,23)20-14-4-2-1-3-13(14)15(21)19-16-18-9-10-24-16/h1-10,20H,(H,18,19,21)

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Potential Energy
Epot(MMFF94)=67.0383 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: 0.183597  Sterimol/B1: 2.27269  Sterimol/B2: 4.29909  Sterimol/B3: 5.83814
  Sterimol/B4: 8.95777  Sterimol/L: 14.2338 
 
 Surface and Volume Properties
  Accessible surface: 575.265  Positive charged surface: 259.29  Negative charged surface: 315.975  Volume: 320.25
  Hydrophobic surface: 448.834  Hydrophilic surface: 126.431
 
 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.