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ENAMINE-ZINC02639754

 MMsINC code: MMs01268308
Type: Neutral
Formula: C19H17FN2O4S2
SMILES:   s1cccc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1OC
InChI:   InChI=1/C19H17FN2O4S2/c1-26-17-6-3-2-5-16(17)22(28(24,25)19-7-4-12-27-19)13-18(23)21-15-10-8-14(20)9-11-15/h2-12H,13H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=121.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.485 g/mol  logS: -5.4291  SlogP: 3.7298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132674  Sterimol/B1: 2.45424  Sterimol/B2: 3.23247  Sterimol/B3: 5.55141
  Sterimol/B4: 8.43384  Sterimol/L: 17.2643 
 
 Surface and Volume Properties
  Accessible surface: 629.612  Positive charged surface: 334.302  Negative charged surface: 295.31  Volume: 355.75
  Hydrophobic surface: 554.908  Hydrophilic surface: 74.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.