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PUBCHEM-ZINC06520197

 MMsINC code: MMs03778706
Type: Neutral
Formula: C18H22N2O5S
SMILES:   S(C=1N(COCCOC(=O)C(C)C)C(=O)NC(=O)C=1C)c1ccccc1
InChI:   InChI=1/C18H22N2O5S/c1-12(2)17(22)25-10-9-24-11-20-16(13(3)15(21)19-18(20)23)26-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,19,21,23)

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Potential Energy
Epot(MMFF94)=33.7599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.449 g/mol  logS: -4.16172  SlogP: 2.7353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965251  Sterimol/B1: 2.34153  Sterimol/B2: 3.35289  Sterimol/B3: 6.35935
  Sterimol/B4: 7.36115  Sterimol/L: 17.2576 
 
 Surface and Volume Properties
  Accessible surface: 632.227  Positive charged surface: 390.11  Negative charged surface: 242.117  Volume: 347.5
  Hydrophobic surface: 429.127  Hydrophilic surface: 203.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.