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PUBCHEM-ZINC06273386

 MMsINC code: MMs03652166
Type: Neutral
Formula: C13H24N2O2S
SMILES:   S1CC(N(C1)C(=O)C(C)C)C(=O)NCCCCC
InChI:   InChI=1/C13H24N2O2S/c1-4-5-6-7-14-12(16)11-8-18-9-15(11)13(17)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=35.9531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.413 g/mol  logS: -2.64623  SlogP: 1.8503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407478  Sterimol/B1: 3.30598  Sterimol/B2: 3.48713  Sterimol/B3: 3.49414
  Sterimol/B4: 6.47164  Sterimol/L: 17.4022 
 
 Surface and Volume Properties
  Accessible surface: 545.081  Positive charged surface: 390.698  Negative charged surface: 154.382  Volume: 277.125
  Hydrophobic surface: 381.479  Hydrophilic surface: 163.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.