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IBS-ZINC00521373

 MMsINC code: MMs01745015
Type: Neutral
Formula: C16H9ClN2OS2
SMILES:   Clc1ccc(nc1)NC(=O)c1sc2c3c(sc2c1)cccc3
InChI:   InChI=1/C16H9ClN2OS2/c17-9-5-6-14(18-8-9)19-16(20)13-7-12-15(22-13)10-3-1-2-4-11(10)21-12/h1-8H,(H,18,19,20)

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Potential Energy
Epot(MMFF94)=53.9024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.846 g/mol  logS: -6.26486  SlogP: 5.4167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000293524  Sterimol/B1: 2.21615  Sterimol/B2: 2.27728  Sterimol/B3: 2.4673
  Sterimol/B4: 6.16709  Sterimol/L: 19.2845 
 
 Surface and Volume Properties
  Accessible surface: 550.911  Positive charged surface: 235.567  Negative charged surface: 315.344  Volume: 289.75
  Hydrophobic surface: 494.208  Hydrophilic surface: 56.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.