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PUBCHEM-ZINC05897051

 MMsINC code: MMs03434077
Type: Neutral
Formula: C22H40N2O2
SMILES:   O=C(NCCCCCCNC(=O)CCC1CCCC1)CCC1CCCC1
InChI:   InChI=1/C22H40N2O2/c25-21(15-13-19-9-3-4-10-19)23-17-7-1-2-8-18-24-22(26)16-14-20-11-5-6-12-20/h19-20H,1-18H2,(H,23,25)(H,24,26)

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Potential Energy
Epot(MMFF94)=23.5145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.574 g/mol  logS: -6.10914  SlogP: 4.72  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131552  Sterimol/B1: 2.48679  Sterimol/B2: 2.506  Sterimol/B3: 4.12734
  Sterimol/B4: 4.50036  Sterimol/L: 27.8099 
 
 Surface and Volume Properties
  Accessible surface: 776.543  Positive charged surface: 643.152  Negative charged surface: 133.39  Volume: 405.5
  Hydrophobic surface: 677.706  Hydrophilic surface: 98.837
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.