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ASINEX-ZINC00409475

 MMsINC code: MMs00128358
Type: Neutral
Formula: C11H15NOS
SMILES:   s1cccc1C(=O)NC1CCCCC1
InChI:   InChI=1/C11H15NOS/c13-11(10-7-4-8-14-10)12-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=12.0652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.313 g/mol  logS: -2.80882  SlogP: 2.8106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652434  Sterimol/B1: 3.07965  Sterimol/B2: 3.21283  Sterimol/B3: 3.25119
  Sterimol/B4: 3.78481  Sterimol/L: 13.8644 
 
 Surface and Volume Properties
  Accessible surface: 424.821  Positive charged surface: 257.085  Negative charged surface: 167.736  Volume: 207.125
  Hydrophobic surface: 386.477  Hydrophilic surface: 38.344
 
 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.