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ASINEX-ZINC01379236

 MMsINC code: MMs00251950
Type: Neutral
Formula: C19H21FN2O3S
SMILES:   S(=O)(=O)(N1CCCC1C(=O)NCCc1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C19H21FN2O3S/c20-16-8-10-17(11-9-16)26(24,25)22-14-4-7-18(22)19(23)21-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,21,23)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.3505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.452 g/mol  logS: -4.14774  SlogP: 2.33767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569206  Sterimol/B1: 3.84849  Sterimol/B2: 3.99789  Sterimol/B3: 4.31215
  Sterimol/B4: 6.56432  Sterimol/L: 18.6567 
 
 Surface and Volume Properties
  Accessible surface: 630.313  Positive charged surface: 360.972  Negative charged surface: 269.341  Volume: 339.625
  Hydrophobic surface: 554.685  Hydrophilic surface: 75.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.