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PUBCHEM-ZINC04599555

 MMsINC code: MMs03139941
Type: Neutral
Formula: C24H42N2O2
SMILES:   O=C(NC1CCCCCCCCCCC1)CCC(=O)NCCC=1CCCCC=1
InChI:   InChI=1/C24H42N2O2/c27-23(25-20-19-21-13-9-8-10-14-21)17-18-24(28)26-22-15-11-6-4-2-1-3-5-7-12-16-22/h13,22H,1-12,14-20H2,(H,25,27)(H,26,28)

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Potential Energy
Epot(MMFF94)=116.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.612 g/mol  logS: -6.22933  SlogP: 5.5628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828563  Sterimol/B1: 2.5599  Sterimol/B2: 4.79399  Sterimol/B3: 5.26783
  Sterimol/B4: 7.52264  Sterimol/L: 19.2153 
 
 Surface and Volume Properties
  Accessible surface: 732.494  Positive charged surface: 560.574  Negative charged surface: 171.921  Volume: 429.25
  Hydrophobic surface: 645.316  Hydrophilic surface: 87.178
 
 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.