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ASINEX-ZINC04971165

 MMsINC code: MMs00418858
Type: Neutral
Formula: C19H22N2OS
SMILES:   s1c2cc(n(c2cc1)C)C(=O)N(Cc1ccccc1)C(C)(C)C
InChI:   InChI=1/C19H22N2OS/c1-19(2,3)21(13-14-8-6-5-7-9-14)18(22)16-12-17-15(20(16)4)10-11-23-17/h5-12H,13H2,1-4H3

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Potential Energy
Epot(MMFF94)=105.193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.464 g/mol  logS: -4.13393  SlogP: 5.3063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187909  Sterimol/B1: 2.61563  Sterimol/B2: 3.98469  Sterimol/B3: 4.9802
  Sterimol/B4: 7.30109  Sterimol/L: 13.8582 
 
 Surface and Volume Properties
  Accessible surface: 531.557  Positive charged surface: 292.193  Negative charged surface: 239.365  Volume: 324.25
  Hydrophobic surface: 462.14  Hydrophilic surface: 69.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.