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PUBCHEM-ZINC06426924

 MMsINC code: MMs03726403
Type: Neutral
Formula: C23H24N2O3S
SMILES:   S(=O)(=O)(NC(Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C23H24N2O3S/c1-18-12-14-21(15-13-18)29(27,28)25-22(16-19-8-4-2-5-9-19)23(26)24-17-20-10-6-3-7-11-20/h2-15,22,25H,16-17H2,1H3,(H,24,26)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.8308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.522 g/mol  logS: -5.46662  SlogP: 3.46739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178594  Sterimol/B1: 2.2205  Sterimol/B2: 3.82257  Sterimol/B3: 5.47761
  Sterimol/B4: 11.1173  Sterimol/L: 14.6659 
 
 Surface and Volume Properties
  Accessible surface: 688.296  Positive charged surface: 389.446  Negative charged surface: 298.85  Volume: 390.375
  Hydrophobic surface: 601.293  Hydrophilic surface: 87.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.