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PUBCHEM-ZINC05917584

 MMsINC code: MMs03443060
Type: Neutral
Formula: C16H24N2O2S
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)C(CC)CC)C
InChI:   InChI=1/C16H24N2O2S/c1-4-10(5-2)15(20)18-16-13(14(17)19)11-7-6-9(3)8-12(11)21-16/h9-10H,4-8H2,1-3H3,(H2,17,19)(H,18,20)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=53.9083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.446 g/mol  logS: -4.84947  SlogP: 3.34644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.067683  Sterimol/B1: 2.50234  Sterimol/B2: 3.73199  Sterimol/B3: 5.33361
  Sterimol/B4: 6.06154  Sterimol/L: 16.4315 
 
 Surface and Volume Properties
  Accessible surface: 560.92  Positive charged surface: 387.551  Negative charged surface: 173.369  Volume: 300.875
  Hydrophobic surface: 381.959  Hydrophilic surface: 178.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.