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ASINEX-ZINC00035407

 MMsINC code: MMs00061314
Type: Neutral
Formula: C20H19NOS
SMILES:   s1cccc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H19NOS/c22-20(19-12-7-15-23-19)21-14-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18H,13-14H2,(H,21,22)

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Potential Energy
Epot(MMFF94)=67.1423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.444 g/mol  logS: -5.01128  SlogP: 4.7001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110838  Sterimol/B1: 2.14131  Sterimol/B2: 3.97928  Sterimol/B3: 4.1925
  Sterimol/B4: 8.91828  Sterimol/L: 16.4513 
 
 Surface and Volume Properties
  Accessible surface: 599.026  Positive charged surface: 311.475  Negative charged surface: 287.551  Volume: 321.625
  Hydrophobic surface: 551.664  Hydrophilic surface: 47.362
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.