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PUBCHEM-ZINC06615665

 MMsINC code: MMs03820905
Type: Neutral
Formula: C18H23NO3S
SMILES:   S(=O)(=O)(NC(CO)c1ccccc1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C18H23NO3S/c1-18(2,3)15-9-11-16(12-10-15)23(21,22)19-17(13-20)14-7-5-4-6-8-14/h4-12,17,19-20H,13H2,1-3H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=64.2975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.452 g/mol  logS: -4.8078  SlogP: 3.0915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0971542  Sterimol/B1: 4.21354  Sterimol/B2: 4.43225  Sterimol/B3: 4.47771
  Sterimol/B4: 4.56201  Sterimol/L: 17.0237 
 
 Surface and Volume Properties
  Accessible surface: 578.711  Positive charged surface: 337.474  Negative charged surface: 241.237  Volume: 323.875
  Hydrophobic surface: 411.073  Hydrophilic surface: 167.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.