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PUBCHEM-ZINC05711372

 MMsINC code: MMs03355368
Type: Neutral
Formula: C21H40N2O2
SMILES:   O=C(N1CCC(NC(=O)C(CCC)CCC)CC1)C(CCC)CCC
InChI:   InChI=1/C21H40N2O2/c1-5-9-17(10-6-2)20(24)22-19-13-15-23(16-14-19)21(25)18(11-7-3)12-8-4/h17-19H,5-16H2,1-4H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=31.0122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.563 g/mol  logS: -5.32563  SlogP: 4.5264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675116  Sterimol/B1: 2.39538  Sterimol/B2: 3.25937  Sterimol/B3: 5.05719
  Sterimol/B4: 8.53241  Sterimol/L: 18.6621 
 
 Surface and Volume Properties
  Accessible surface: 715.435  Positive charged surface: 548.938  Negative charged surface: 166.497  Volume: 397.375
  Hydrophobic surface: 578.587  Hydrophilic surface: 136.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.