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ENAMINE-ZINC03457443

 MMsINC code: MMs01454907
Type: Neutral
Formula: C24H24N2O5S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1cc(ccc1)C(OCC(=O)NC(C)c1ccccc1)=O
InChI:   InChI=1/C24H24N2O5S/c1-18(19-10-5-3-6-11-19)25-23(27)17-31-24(28)20-12-9-15-22(16-20)32(29,30)26(2)21-13-7-4-8-14-21/h3-16,18H,17H2,1-2H3,(H,25,27)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.4497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.531 g/mol  logS: -5.77171  SlogP: 3.6414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514211  Sterimol/B1: 3.06923  Sterimol/B2: 3.3418  Sterimol/B3: 6.16286
  Sterimol/B4: 6.5812  Sterimol/L: 22.8094 
 
 Surface and Volume Properties
  Accessible surface: 757.26  Positive charged surface: 433.244  Negative charged surface: 324.016  Volume: 419
  Hydrophobic surface: 611.773  Hydrophilic surface: 145.487
 
 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.