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ASINEX-ZINC04971289

 MMsINC code: MMs00418937
Type: Neutral
Formula: C19H19FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)N1CCCCC1
InChI:   InChI=1/C19H19FN2OS/c20-15-6-4-14(5-7-15)13-22-16-8-11-24-18(16)12-17(22)19(23)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13H2

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Potential Energy
Epot(MMFF94)=62.4351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.438 g/mol  logS: -4.20143  SlogP: 4.7827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160882  Sterimol/B1: 3.61231  Sterimol/B2: 3.82479  Sterimol/B3: 4.4991
  Sterimol/B4: 8.41896  Sterimol/L: 12.7204 
 
 Surface and Volume Properties
  Accessible surface: 554.548  Positive charged surface: 308.634  Negative charged surface: 245.914  Volume: 319.25
  Hydrophobic surface: 518.365  Hydrophilic surface: 36.183
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.