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PUBCHEM-ZINC04031077

 MMsINC code: MMs03087826
Type: Neutral
Formula: C15H20N2O2S
SMILES:   s1c(C)c(C)c(C(=O)N)c1NC(=O)C1C2CC(C1)CC2
InChI:   InChI=1/C15H20N2O2S/c1-7-8(2)20-15(12(7)13(16)18)17-14(19)11-6-9-3-4-10(11)5-9/h9-11H,3-6H2,1-2H3,(H2,16,18)(H,17,19)/t9-,10+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=77.093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.403 g/mol  logS: -4.54566  SlogP: 2.83854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0793812  Sterimol/B1: 3.87016  Sterimol/B2: 3.932  Sterimol/B3: 4.86248
  Sterimol/B4: 5.28196  Sterimol/L: 14.0613 
 
 Surface and Volume Properties
  Accessible surface: 518.666  Positive charged surface: 339.8  Negative charged surface: 178.867  Volume: 277.625
  Hydrophobic surface: 403.908  Hydrophilic surface: 114.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.