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PUBCHEM-ZINC02938743

 MMsINC code: MMs02962957
Type: Neutral
Formula: C24H25FN2O4S
SMILES:   S(=O)(=O)(NC(CC(=O)NCCc1ccccc1)c1ccc(OC)cc1)c1ccc(F)cc1
InChI:   InChI=1/C24H25FN2O4S/c1-31-21-11-7-19(8-12-21)23(27-32(29,30)22-13-9-20(25)10-14-22)17-24(28)26-16-15-18-5-3-2-4-6-18/h2-14,23,27H,15-17H2,1H3,(H,26,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.538 g/mol  logS: -5.21998  SlogP: 3.69837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0646089  Sterimol/B1: 2.18595  Sterimol/B2: 3.27516  Sterimol/B3: 4.72914
  Sterimol/B4: 8.01621  Sterimol/L: 20.148 
 
 Surface and Volume Properties
  Accessible surface: 725.705  Positive charged surface: 442.208  Negative charged surface: 283.497  Volume: 420.5
  Hydrophobic surface: 609.018  Hydrophilic surface: 116.687
 
 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.