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PUBCHEM-ZINC00382963

 MMsINC code: MMs02668146
Type: Neutral
Formula: C14H15NO2S
SMILES:   s1c(Cc2ccccc2)c(C)c(N)c1C(OC)=O
InChI:   InChI=1/C14H15NO2S/c1-9-11(8-10-6-4-3-5-7-10)18-13(12(9)15)14(16)17-2/h3-7H,8,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=52.2212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.345 g/mol  logS: -3.41048  SlogP: 3.01609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0972922  Sterimol/B1: 2.32606  Sterimol/B2: 3.48417  Sterimol/B3: 3.87078
  Sterimol/B4: 7.60434  Sterimol/L: 13.7612 
 
 Surface and Volume Properties
  Accessible surface: 481.113  Positive charged surface: 303.589  Negative charged surface: 177.525  Volume: 249.375
  Hydrophobic surface: 401.287  Hydrophilic surface: 79.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.