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ENAMINE-ZINC06509552

 MMsINC code: MMs01665945
Type: Neutral
Formula: C17H17FN2O5S
SMILES:   S(=O)(=O)(CCC(=O)NNC(=O)COc1ccc(F)cc1)c1ccccc1
InChI:   InChI=1/C17H17FN2O5S/c18-13-6-8-14(9-7-13)25-12-17(22)20-19-16(21)10-11-26(23,24)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=80.095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.396 g/mol  logS: -4.00425  SlogP: 1.2159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210117  Sterimol/B1: 2.7959  Sterimol/B2: 3.61715  Sterimol/B3: 3.61876
  Sterimol/B4: 5.47879  Sterimol/L: 22.0469 
 
 Surface and Volume Properties
  Accessible surface: 643.316  Positive charged surface: 329.512  Negative charged surface: 313.804  Volume: 326.75
  Hydrophobic surface: 468.815  Hydrophilic surface: 174.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.