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CHEMDIV-ZINC00147036

 MMsINC code: MMs00834798
Type: Neutral
Formula: C14H19NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(OC1CCCCC1)=O)C
InChI:   InChI=1/C14H19NO4S/c1-20(17,18)15-12-9-7-11(8-10-12)14(16)19-13-5-3-2-4-6-13/h7-10,13,15H,2-6H2,1H3

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Potential Energy
Epot(MMFF94)=34.8254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.375 g/mol  logS: -3.07573  SlogP: 2.5476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0585532  Sterimol/B1: 2.06181  Sterimol/B2: 3.57852  Sterimol/B3: 4.24363
  Sterimol/B4: 4.67421  Sterimol/L: 17.1344 
 
 Surface and Volume Properties
  Accessible surface: 532.858  Positive charged surface: 333.628  Negative charged surface: 199.23  Volume: 271.75
  Hydrophobic surface: 407.974  Hydrophilic surface: 124.884
 
 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.