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CHEMBLOCK-ZINC04619477

 MMsINC code: MMs00562758
Type: Neutral
Formula: C18H22N2O4S
SMILES:   S(=O)(=O)(Nc1cc(cc(c1)C)C)c1ccc(cc1)CNC(OCC)=O
InChI:   InChI=1/C18H22N2O4S/c1-4-24-18(21)19-12-15-5-7-17(8-6-15)25(22,23)20-16-10-13(2)9-14(3)11-16/h5-11,20H,4,12H2,1-3H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=16.4248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.45 g/mol  logS: -4.54472  SlogP: 3.61674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846413  Sterimol/B1: 3.40813  Sterimol/B2: 4.94504  Sterimol/B3: 5.16338
  Sterimol/B4: 5.77575  Sterimol/L: 19.4236 
 
 Surface and Volume Properties
  Accessible surface: 644.035  Positive charged surface: 408.185  Negative charged surface: 235.85  Volume: 339.75
  Hydrophobic surface: 466.822  Hydrophilic surface: 177.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.