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CHEMDIV-ZINC07002818

 MMsINC code: MMs01069914
Type: Neutral
Formula: C17H21FN2O4S
SMILES:   S(=O)(=O)(Nc1cc(F)c(cc1)C)c1c(C(OCC)=O)c(n(C)c1C)C
InChI:   InChI=1/C17H21FN2O4S/c1-6-24-17(21)15-11(3)20(5)12(4)16(15)25(22,23)19-13-8-7-10(2)14(18)9-13/h7-9,19H,6H2,1-5H3

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Potential Energy
Epot(MMFF94)=60.1608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.429 g/mol  logS: -3.17512  SlogP: 3.42616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.355826  Sterimol/B1: 2.18157  Sterimol/B2: 4.33914  Sterimol/B3: 5.53281
  Sterimol/B4: 10.2935  Sterimol/L: 13.4426 
 
 Surface and Volume Properties
  Accessible surface: 578.463  Positive charged surface: 366.286  Negative charged surface: 212.177  Volume: 330.75
  Hydrophobic surface: 466.49  Hydrophilic surface: 111.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.