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CHEMBRIDGE-ZINC04814277

 MMsINC code: MMs00790382
Type: Neutral
Formula: C14H23NOS
SMILES:   s1cccc1CC(=O)NC(CC(C)(C)C)(C)C
InChI:   InChI=1/C14H23NOS/c1-13(2,3)10-14(4,5)15-12(16)9-11-7-6-8-17-11/h6-8H,9-10H2,1-5H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=142.094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.41 g/mol  logS: -4.12821  SlogP: 3.62157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137274  Sterimol/B1: 2.2796  Sterimol/B2: 2.41338  Sterimol/B3: 4.73565
  Sterimol/B4: 6.28856  Sterimol/L: 14.2813 
 
 Surface and Volume Properties
  Accessible surface: 491.094  Positive charged surface: 291.075  Negative charged surface: 200.019  Volume: 265.5
  Hydrophobic surface: 399.731  Hydrophilic surface: 91.363
 
 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.