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ENAMINE-ZINC03545520

 MMsINC code: MMs01500605
Type: Neutral
Formula: C23H20F2N2O5S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1cc(ccc1)C(OCC(=O)NC(C)c1ccc(F)cc1)=
O
InChI:   InChI=1/C23H20F2N2O5S/c1-15(16-5-7-18(24)8-6-16)26-22(28)14-32-23(29)17-3-2-4-21(13-17)33(30,31)27-20-11-9-19(25)10-12-20/h2-13,15,27H,14H2,1H3,(H,26,28)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=71.6781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.484 g/mol  logS: -6.28609  SlogP: 3.8953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.04254  Sterimol/B1: 2.78464  Sterimol/B2: 3.11874  Sterimol/B3: 4.9378
  Sterimol/B4: 7.66435  Sterimol/L: 22.5592 
 
 Surface and Volume Properties
  Accessible surface: 740.826  Positive charged surface: 381.873  Negative charged surface: 358.953  Volume: 406.875
  Hydrophobic surface: 560.262  Hydrophilic surface: 180.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.