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ASINEX-ZINC04971390

 MMsINC code: MMs00418986
Type: Neutral
Formula: C18H19FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)NCCCC
InChI:   InChI=1/C18H19FN2OS/c1-2-3-9-20-18(22)16-11-17-15(8-10-23-17)21(16)12-13-4-6-14(19)7-5-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=32.8845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.427 g/mol  logS: -4.59747  SlogP: 4.6865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575465  Sterimol/B1: 2.92645  Sterimol/B2: 4.20802  Sterimol/B3: 5.75579
  Sterimol/B4: 6.38224  Sterimol/L: 15.9693 
 
 Surface and Volume Properties
  Accessible surface: 581.579  Positive charged surface: 325.649  Negative charged surface: 255.93  Volume: 315.875
  Hydrophobic surface: 516.175  Hydrophilic surface: 65.404
 
 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.