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CHEMBLOCK-ZINC01428407

 MMsINC code: MMs00522319
Type: Neutral
Formula: C15H15NO2S
SMILES:   S(=O)(=O)(NC1CC1)c1c2c3c(CCc3ccc2)cc1
InChI:   InChI=1/C15H15NO2S/c17-19(18,16-12-7-8-12)14-9-6-11-5-4-10-2-1-3-13(14)15(10)11/h1-3,6,9,12,16H,4-5,7-8H2

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Potential Energy
Epot(MMFF94)=50.1902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.356 g/mol  logS: -4.49892  SlogP: 2.37904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179791  Sterimol/B1: 2.51965  Sterimol/B2: 4.10985  Sterimol/B3: 4.83432
  Sterimol/B4: 7.42158  Sterimol/L: 12.9026 
 
 Surface and Volume Properties
  Accessible surface: 473.367  Positive charged surface: 269.567  Negative charged surface: 196.555  Volume: 252.625
  Hydrophobic surface: 357.242  Hydrophilic surface: 116.125
 
 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.