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PUBCHEM-ZINC00476989

 MMsINC code: MMs02688468
Type: Neutral
Formula: C18H19NO4S
SMILES:   s1c2c(CC(OC2)(C)C)c(C(OC)=O)c1NC(=O)c1ccccc1
InChI:   InChI=1/C18H19NO4S/c1-18(2)9-12-13(10-23-18)24-16(14(12)17(21)22-3)19-15(20)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=104.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.419 g/mol  logS: -4.80902  SlogP: 3.90467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350616  Sterimol/B1: 2.82227  Sterimol/B2: 3.89001  Sterimol/B3: 4.95048
  Sterimol/B4: 5.85657  Sterimol/L: 17.3353 
 
 Surface and Volume Properties
  Accessible surface: 584.82  Positive charged surface: 358.649  Negative charged surface: 226.17  Volume: 319.75
  Hydrophobic surface: 459.581  Hydrophilic surface: 125.239
 
 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.