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PEAKDALE-ZINC01740832

 MMsINC code: MMs02614901
Type: Neutral
Formula: C18H22FNO2S
SMILES:   s1cccc1C(=O)N(C(C)C)CCCC(O)c1ccc(F)cc1
InChI:   InChI=1/C18H22FNO2S/c1-13(2)20(18(22)17-6-4-12-23-17)11-3-5-16(21)14-7-9-15(19)10-8-14/h4,6-10,12-13,16,21H,3,5,11H2,1-2H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=111.361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.443 g/mol  logS: -4.14999  SlogP: 4.3471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643631  Sterimol/B1: 2.52186  Sterimol/B2: 2.54446  Sterimol/B3: 4.6893
  Sterimol/B4: 8.61559  Sterimol/L: 15.5464 
 
 Surface and Volume Properties
  Accessible surface: 572.799  Positive charged surface: 325.565  Negative charged surface: 247.234  Volume: 323.375
  Hydrophobic surface: 481.97  Hydrophilic surface: 90.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.