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PUBCHEM-ZINC05897501

 MMsINC code: MMs03434332
Type: Neutral
Formula: C18H26N2O2S
SMILES:   s1c2c(CCCCCC2)c(C(=O)N)c1NC(=O)C1CCCCC1
InChI:   InChI=1/C18H26N2O2S/c19-16(21)15-13-10-6-1-2-7-11-14(13)23-18(15)20-17(22)12-8-4-3-5-9-12/h12H,1-11H2,(H2,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=98.0075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.484 g/mol  logS: -5.77787  SlogP: 4.02474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607726  Sterimol/B1: 3.28256  Sterimol/B2: 3.89687  Sterimol/B3: 4.05154
  Sterimol/B4: 5.83821  Sterimol/L: 16.4846 
 
 Surface and Volume Properties
  Accessible surface: 575.507  Positive charged surface: 421.672  Negative charged surface: 153.835  Volume: 321.75
  Hydrophobic surface: 457.676  Hydrophilic surface: 117.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.