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CHEMBLOCK-ZINC04618720

 MMsINC code: MMs00562399
Type: Neutral
Formula: C17H19NO2S
SMILES:   S(=O)(=O)(Nc1ccccc1C1(CC1)C)c1ccc(cc1)C
InChI:   InChI=1/C17H19NO2S/c1-13-7-9-14(10-8-13)21(19,20)18-16-6-4-3-5-15(16)17(2)11-12-17/h3-10,18H,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=57.5152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.41 g/mol  logS: -5.12473  SlogP: 3.84732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263521  Sterimol/B1: 2.26778  Sterimol/B2: 3.98604  Sterimol/B3: 6.09446
  Sterimol/B4: 6.74149  Sterimol/L: 13.3218 
 
 Surface and Volume Properties
  Accessible surface: 512.351  Positive charged surface: 287.868  Negative charged surface: 224.483  Volume: 294.125
  Hydrophobic surface: 414.707  Hydrophilic surface: 97.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.