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MAYBRIDGE-ZINC00151291

 MMsINC code: MMs02141766
Type: Neutral
Formula: C15H17NO3S
SMILES:   S1C(CC(O)=O)C(=O)N=C1c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C15H17NO3S/c1-15(2,3)10-6-4-9(5-7-10)14-16-13(19)11(20-14)8-12(17)18/h4-7,11H,8H2,1-3H3,(H,17,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=58.9361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.371 g/mol  logS: -5.26589  SlogP: 2.8474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462372  Sterimol/B1: 2.47738  Sterimol/B2: 4.00774  Sterimol/B3: 4.40966
  Sterimol/B4: 4.68884  Sterimol/L: 15.9872 
 
 Surface and Volume Properties
  Accessible surface: 518.679  Positive charged surface: 293.252  Negative charged surface: 225.426  Volume: 273.875
  Hydrophobic surface: 282.135  Hydrophilic surface: 236.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02141767
MAYBRIDGE-ZINC00151291