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CHEMDIV-ZINC00670936

 MMsINC code: MMs00856784
Type: Neutral
Formula: C18H20N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)c2cc(ccc2)C)cc1
InChI:   InChI=1/C18H20N2O4S/c1-14-3-2-4-15(13-14)18(21)19-16-5-7-17(8-6-16)25(22,23)20-9-11-24-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.434 g/mol  logS: -4.03383  SlogP: 2.26822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327579  Sterimol/B1: 2.17985  Sterimol/B2: 3.46112  Sterimol/B3: 4.11363
  Sterimol/B4: 5.70002  Sterimol/L: 18.7961 
 
 Surface and Volume Properties
  Accessible surface: 606.547  Positive charged surface: 377.044  Negative charged surface: 229.503  Volume: 329.125
  Hydrophobic surface: 502.975  Hydrophilic surface: 103.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.