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CHEMDIV-ZINC03027661

 MMsINC code: MMs00904659
Type: Neutral
Formula: C15H23NO4S
SMILES:   S(=O)(=O)(NC(C(OCC)=O)(C)C)c1c(cc(cc1C)C)C
InChI:   InChI=1/C15H23NO4S/c1-7-20-14(17)15(5,6)16-21(18,19)13-11(3)8-10(2)9-12(13)4/h8-9,16H,7H2,1-6H3

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Potential Energy
Epot(MMFF94)=82.1541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.418 g/mol  logS: -3.40752  SlogP: 2.23186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130213  Sterimol/B1: 3.35185  Sterimol/B2: 4.26516  Sterimol/B3: 4.4216
  Sterimol/B4: 5.44429  Sterimol/L: 15.3167 
 
 Surface and Volume Properties
  Accessible surface: 530.277  Positive charged surface: 329.889  Negative charged surface: 200.388  Volume: 295.375
  Hydrophobic surface: 406.679  Hydrophilic surface: 123.598
 
 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.