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PUBCHEM-ZINC03086693

 MMsINC code: MMs02991860
Type: Neutral
Formula: C18H32N2O2S
SMILES:   S(CCC(=O)NC1CCCCC1)CCC(=O)NC1CCCCC1
InChI:   InChI=1/C18H32N2O2S/c21-17(19-15-7-3-1-4-8-15)11-13-23-14-12-18(22)20-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=10.6437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.532 g/mol  logS: -3.63368  SlogP: 3.3976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175232  Sterimol/B1: 3.13605  Sterimol/B2: 3.27011  Sterimol/B3: 3.38276
  Sterimol/B4: 4.63263  Sterimol/L: 22.7323 
 
 Surface and Volume Properties
  Accessible surface: 679.358  Positive charged surface: 528.327  Negative charged surface: 151.031  Volume: 350.625
  Hydrophobic surface: 568.446  Hydrophilic surface: 110.912
 
 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.