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ENAMINE-ZINC03457320

 MMsINC code: MMs01454833
Type: Neutral
Formula: C24H23FN2O5S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1cc(ccc1)C(OCC(=O)NC(C)c1ccc(F)cc1)=
O
InChI:   InChI=1/C24H23FN2O5S/c1-17(18-11-13-20(25)14-12-18)26-23(28)16-32-24(29)19-7-6-10-22(15-19)33(30,31)27(2)21-8-4-3-5-9-21/h3-15,17H,16H2,1-2H3,(H,26,28)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.9722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.521 g/mol  logS: -6.06669  SlogP: 3.7805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376949  Sterimol/B1: 2.2914  Sterimol/B2: 2.61586  Sterimol/B3: 5.66368
  Sterimol/B4: 6.28653  Sterimol/L: 23.6074 
 
 Surface and Volume Properties
  Accessible surface: 760.966  Positive charged surface: 421.242  Negative charged surface: 339.724  Volume: 422.75
  Hydrophobic surface: 613.993  Hydrophilic surface: 146.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.