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ASINEX-ZINC04953228

 MMsINC code: MMs00412170
Type: Neutral
Formula: C20H16ClNO2S
SMILES:   Clc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)c1ccccc1
InChI:   InChI=1/C20H16ClNO2S/c1-12-13(2)25-20(17(12)18(23)14-8-4-3-5-9-14)22-19(24)15-10-6-7-11-16(15)21/h3-11H,1-2H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=109.916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.872 g/mol  logS: -6.60084  SlogP: 5.50164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104605  Sterimol/B1: 3.37541  Sterimol/B2: 4.81886  Sterimol/B3: 5.22771
  Sterimol/B4: 7.7471  Sterimol/L: 14.5385 
 
 Surface and Volume Properties
  Accessible surface: 599.742  Positive charged surface: 281.374  Negative charged surface: 318.368  Volume: 333.625
  Hydrophobic surface: 553.306  Hydrophilic surface: 46.436
 
 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.