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ASINEX-ZINC01807770

 MMsINC code: MMs00258156
Type: Neutral
Formula: C14H21NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(OCCCCCC)=O)C
InChI:   InChI=1/C14H21NO4S/c1-3-4-5-6-11-19-14(16)12-7-9-13(10-8-12)15-20(2,17)18/h7-10,15H,3-6,11H2,1-2H3

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Potential Energy
Epot(MMFF94)=29.0815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.391 g/mol  logS: -3.67923  SlogP: 2.7952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301139  Sterimol/B1: 3.21041  Sterimol/B2: 3.31588  Sterimol/B3: 3.74022
  Sterimol/B4: 5.33281  Sterimol/L: 19.8438 
 
 Surface and Volume Properties
  Accessible surface: 576.464  Positive charged surface: 375.931  Negative charged surface: 200.533  Volume: 284.625
  Hydrophobic surface: 423.178  Hydrophilic surface: 153.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.