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ASINEX-ZINC02073041

 MMsINC code: MMs00263292
Type: Neutral
Formula: C22H16ClNOS
SMILES:   Clc1c2c(sc1C(=O)Nc1ccccc1-c1ccccc1)cc(cc2)C
InChI:   InChI=1/C22H16ClNOS/c1-14-11-12-17-19(13-14)26-21(20(17)23)22(25)24-18-10-6-5-9-16(18)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25)

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Potential Energy
Epot(MMFF94)=95.6401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.895 g/mol  logS: -8.64281  SlogP: 6.78242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0292596  Sterimol/B1: 2.50785  Sterimol/B2: 3.97311  Sterimol/B3: 5.0061
  Sterimol/B4: 6.96978  Sterimol/L: 16.834 
 
 Surface and Volume Properties
  Accessible surface: 614.706  Positive charged surface: 294.157  Negative charged surface: 311.485  Volume: 350.5
  Hydrophobic surface: 592.892  Hydrophilic surface: 21.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.