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PUBCHEM-ZINC02379973

 MMsINC code: MMs02885920
Type: Neutral
Formula: C16H10Cl3N3OS
SMILES:   Clc1cc(Cl)ccc1C(=O)c1sc(nc1N)Nc1ccc(Cl)cc1
InChI:   InChI=1/C16H10Cl3N3OS/c17-8-1-4-10(5-2-8)21-16-22-15(20)14(24-16)13(23)11-6-3-9(18)7-12(11)19/h1-7H,20H2,(H,21,22)

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Potential Energy
Epot(MMFF94)=56.6757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.701 g/mol  logS: -6.93731  SlogP: 5.6601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494068  Sterimol/B1: 3.14423  Sterimol/B2: 4.42908  Sterimol/B3: 4.64751
  Sterimol/B4: 5.19631  Sterimol/L: 18.8031 
 
 Surface and Volume Properties
  Accessible surface: 592.397  Positive charged surface: 225.271  Negative charged surface: 367.126  Volume: 318.75
  Hydrophobic surface: 468.795  Hydrophilic surface: 123.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.