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ENAMINE-ZINC06508652

 MMsINC code: MMs01665090
Type: Neutral
Formula: C14H13FN2O2S
SMILES:   s1cccc1C(=O)NCC(=O)Nc1cc(F)c(cc1)C
InChI:   InChI=1/C14H13FN2O2S/c1-9-4-5-10(7-11(9)15)17-13(18)8-16-14(19)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,19)(H,17,18)

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Potential Energy
Epot(MMFF94)=53.2828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.334 g/mol  logS: -3.78956  SlogP: 2.56412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139914  Sterimol/B1: 2.52154  Sterimol/B2: 2.79777  Sterimol/B3: 3.11703
  Sterimol/B4: 5.18138  Sterimol/L: 17.6638 
 
 Surface and Volume Properties
  Accessible surface: 528.738  Positive charged surface: 270.94  Negative charged surface: 257.798  Volume: 260.5
  Hydrophobic surface: 433.308  Hydrophilic surface: 95.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.