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MDPI-ZINC03851706

 MMsINC code: MMs02183462
Type: Neutral
Formula: C15H23NO5S
SMILES:   S(=O)(=O)(NC(C(O)C(OC(C)(C)C)=O)C)c1ccc(cc1)C
InChI:   InChI=1/C15H23NO5S/c1-10-6-8-12(9-7-10)22(19,20)16-11(2)13(17)14(18)21-15(3,4)5/h6-9,11,13,16-17H,1-5H3/t11-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=54.4126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.417 g/mol  logS: -3.21125  SlogP: 1.36442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104274  Sterimol/B1: 2.99121  Sterimol/B2: 3.46859  Sterimol/B3: 5.06219
  Sterimol/B4: 5.52346  Sterimol/L: 16.0984 
 
 Surface and Volume Properties
  Accessible surface: 551.299  Positive charged surface: 327.992  Negative charged surface: 223.307  Volume: 308
  Hydrophobic surface: 375.949  Hydrophilic surface: 175.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.