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ASINEX-ZINC02859196

 MMsINC code: MMs00279511
Type: Neutral
Formula: C11H17NO2S
SMILES:   s1cccc1C(=O)NCCCOC(C)C
InChI:   InChI=1/C11H17NO2S/c1-9(2)14-7-4-6-12-11(13)10-5-3-8-15-10/h3,5,8-9H,4,6-7H2,1-2H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=15.8566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.328 g/mol  logS: -2.33651  SlogP: 2.293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330739  Sterimol/B1: 2.43833  Sterimol/B2: 2.6855  Sterimol/B3: 4.04448
  Sterimol/B4: 4.7722  Sterimol/L: 16.7932 
 
 Surface and Volume Properties
  Accessible surface: 489.245  Positive charged surface: 301.144  Negative charged surface: 188.102  Volume: 225.5
  Hydrophobic surface: 393.353  Hydrophilic surface: 95.892
 
 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.