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PUBCHEM-ZINC04615269

 MMsINC code: MMs03141899
Type: Neutral
Formula: C22H40N2O2
SMILES:   O=C(NC1CCCCC1)CCC(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C22H40N2O2/c25-21(17-18-22(26)24-20-15-11-8-12-16-20)23-19-13-9-6-4-2-1-3-5-7-10-14-19/h19-20H,1-18H2,(H,23,25)(H,24,26)

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Potential Energy
Epot(MMFF94)=74.4108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.574 g/mol  logS: -5.73312  SlogP: 5.005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441985  Sterimol/B1: 2.54116  Sterimol/B2: 4.26374  Sterimol/B3: 5.03103
  Sterimol/B4: 5.62702  Sterimol/L: 21.1468 
 
 Surface and Volume Properties
  Accessible surface: 689.328  Positive charged surface: 542.239  Negative charged surface: 147.089  Volume: 399.75
  Hydrophobic surface: 616.427  Hydrophilic surface: 72.901
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.