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ASINEX-ZINC02900053

 MMsINC code: MMs00280605
Type: Neutral
Formula: C19H24N2O4S
SMILES:   S(=O)(=O)(Nc1ccccc1)c1ccc(NC(OCCCCCC)=O)cc1
InChI:   InChI=1/C19H24N2O4S/c1-2-3-4-8-15-25-19(22)20-16-11-13-18(14-12-16)26(23,24)21-17-9-6-5-7-10-17/h5-7,9-14,21H,2-4,8,15H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=39.1124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.477 g/mol  logS: -5.40027  SlogP: 4.6162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0341531  Sterimol/B1: 3.85532  Sterimol/B2: 4.06546  Sterimol/B3: 4.41205
  Sterimol/B4: 6.01181  Sterimol/L: 21.4861 
 
 Surface and Volume Properties
  Accessible surface: 679.14  Positive charged surface: 432.697  Negative charged surface: 246.443  Volume: 354.875
  Hydrophobic surface: 514.788  Hydrophilic surface: 164.352
 
 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.