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MAYBRIDGE-ZINC00153025

 MMsINC code: MMs02142262
Type: Neutral
Formula: C11H7Cl3N2OS
SMILES:   Clc1ccsc1C(=O)NNc1cc(Cl)cc(Cl)c1
InChI:   InChI=1/C11H7Cl3N2OS/c12-6-3-7(13)5-8(4-6)15-16-11(17)10-9(14)1-2-18-10/h1-5,15H,(H,16,17)

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Potential Energy
Epot(MMFF94)=54.5499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.615 g/mol  logS: -5.0617  SlogP: 4.4652  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.11924e-07  Sterimol/B1: 2.1849  Sterimol/B2: 2.1851  Sterimol/B3: 4.71042
  Sterimol/B4: 5.1187  Sterimol/L: 15.5489 
 
 Surface and Volume Properties
  Accessible surface: 501.252  Positive charged surface: 139.077  Negative charged surface: 362.175  Volume: 249.875
  Hydrophobic surface: 443.404  Hydrophilic surface: 57.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.