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CHEMBRIDGE-ZINC04903109

 MMsINC code: MMs00809971
Type: Neutral
Formula: C22H40N2O2
SMILES:   O=C(NC1CCCCCCC1)CCCCC(=O)NC1CCCCCCC1
InChI:   InChI=1/C22H40N2O2/c25-21(23-19-13-7-3-1-4-8-14-19)17-11-12-18-22(26)24-20-15-9-5-2-6-10-16-20/h19-20H,1-18H2,(H,23,25)(H,24,26)

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Potential Energy
Epot(MMFF94)=139.217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.574 g/mol  logS: -5.10622  SlogP: 5.005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0317077  Sterimol/B1: 2.40089  Sterimol/B2: 3.65321  Sterimol/B3: 4.78376
  Sterimol/B4: 5.12913  Sterimol/L: 21.2423 
 
 Surface and Volume Properties
  Accessible surface: 694.78  Positive charged surface: 539.714  Negative charged surface: 155.066  Volume: 393.75
  Hydrophobic surface: 620.217  Hydrophilic surface: 74.563
 
 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.