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CHEMBLOCK-ZINC01059963

 MMsINC code: MMs00511749
Type: Neutral
Formula: C23H21FN2O2S
SMILES:   S(Cc1ccc(F)cc1)c1ccccc1C(=O)NC(Cc1ccccc1)C(=O)N
InChI:   InChI=1/C23H21FN2O2S/c24-18-12-10-17(11-13-18)15-29-21-9-5-4-8-19(21)23(28)26-20(22(25)27)14-16-6-2-1-3-7-16/h1-13,20H,14-15H2,(H2,25,27)(H,26,28)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.79 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.497 g/mol  logS: -6.72322  SlogP: 4.21077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18858  Sterimol/B1: 2.4941  Sterimol/B2: 5.32699  Sterimol/B3: 6.25146
  Sterimol/B4: 8.25463  Sterimol/L: 15.8499 
 
 Surface and Volume Properties
  Accessible surface: 690.013  Positive charged surface: 366.358  Negative charged surface: 323.655  Volume: 385
  Hydrophobic surface: 552.066  Hydrophilic surface: 137.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.