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ASINEX-ZINC00379600

 MMsINC code: MMs00126980
Type: Neutral
Formula: C18H21NO4S
SMILES:   S(=O)(=O)(N(CC(OC)=O)c1cc(C)c(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C18H21NO4S/c1-13-5-9-17(10-6-13)24(21,22)19(12-18(20)23-4)16-8-7-14(2)15(3)11-16/h5-11H,12H2,1-4H3

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Potential Energy
Epot(MMFF94)=95.2798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.435 g/mol  logS: -4.95223  SlogP: 2.98016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0771245  Sterimol/B1: 2.47742  Sterimol/B2: 5.31997  Sterimol/B3: 5.3607
  Sterimol/B4: 7.77841  Sterimol/L: 14.9347 
 
 Surface and Volume Properties
  Accessible surface: 592.274  Positive charged surface: 351.903  Negative charged surface: 240.371  Volume: 325.75
  Hydrophobic surface: 508.855  Hydrophilic surface: 83.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.