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ENAMINE-ZINC06510446

 MMsINC code: MMs01666941
Type: Neutral
Formula: C22H20N2O4S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)C(NC(=O)c1ccc(cc1)C(=O)c1ccccc1)C
InChI:   InChI=1/C22H20N2O4S/c1-15(16-11-13-20(14-12-16)29(23,27)28)24-22(26)19-9-7-18(8-10-19)21(25)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,26)(H2,23,27,28)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.6873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.478 g/mol  logS: -5.92554  SlogP: 3.1515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563406  Sterimol/B1: 2.20919  Sterimol/B2: 3.11669  Sterimol/B3: 5.23376
  Sterimol/B4: 8.57366  Sterimol/L: 20.6096 
 
 Surface and Volume Properties
  Accessible surface: 680.511  Positive charged surface: 345.038  Negative charged surface: 335.473  Volume: 371.25
  Hydrophobic surface: 461.008  Hydrophilic surface: 219.503
 
 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


MMs01666942
ENAMINE-ZINC06510446