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ASINEX-ZINC04971282

 MMsINC code: MMs00418933
Type: Neutral
Formula: C20H21FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C20H21FN2OS/c21-15-8-6-14(7-9-15)13-23-17-10-11-25-19(17)12-18(23)20(24)22-16-4-2-1-3-5-16/h6-12,16H,1-5,13H2,(H,22,24)

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Potential Energy
Epot(MMFF94)=85.5814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.465 g/mol  logS: -5.02441  SlogP: 5.2191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890015  Sterimol/B1: 3.14402  Sterimol/B2: 3.94065  Sterimol/B3: 4.78083
  Sterimol/B4: 6.86927  Sterimol/L: 15.6895 
 
 Surface and Volume Properties
  Accessible surface: 567.444  Positive charged surface: 309.233  Negative charged surface: 258.211  Volume: 334.25
  Hydrophobic surface: 524.77  Hydrophilic surface: 42.674
 
 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.