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PUBCHEM-ZINC03162464

 MMsINC code: MMs03003630
Type: Neutral
Formula: C12H19NOS
SMILES:   s1cccc1C(=O)NC(CCCCC)C
InChI:   InChI=1/C12H19NOS/c1-3-4-5-7-10(2)13-12(14)11-8-6-9-15-11/h6,8-10H,3-5,7H2,1-2H3,(H,13,14)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=9.61498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.356 g/mol  logS: -3.73953  SlogP: 3.4467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0696959  Sterimol/B1: 2.93292  Sterimol/B2: 3.26013  Sterimol/B3: 3.4362
  Sterimol/B4: 7.15908  Sterimol/L: 14.6409 
 
 Surface and Volume Properties
  Accessible surface: 487.885  Positive charged surface: 299.396  Negative charged surface: 188.488  Volume: 236.625
  Hydrophobic surface: 410.411  Hydrophilic surface: 77.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.