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PUBCHEM-ZINC05907641

 MMsINC code: MMs03439398
Type: Neutral
Formula: C22H44N2O2
SMILES:   O=C(N(CC(C)C)CC(C)C)CCCCC(=O)N(CC(C)C)CC(C)C
InChI:   InChI=1/C22H44N2O2/c1-17(2)13-23(14-18(3)4)21(25)11-9-10-12-22(26)24(15-19(5)6)16-20(7)8/h17-20H,9-16H2,1-8H3

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Potential Energy
Epot(MMFF94)=54.1227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.606 g/mol  logS: -2.81408  SlogP: 4.828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444205  Sterimol/B1: 3.06757  Sterimol/B2: 3.25575  Sterimol/B3: 4.09706
  Sterimol/B4: 8.76162  Sterimol/L: 18.6003 
 
 Surface and Volume Properties
  Accessible surface: 733.093  Positive charged surface: 536.774  Negative charged surface: 196.319  Volume: 422.5
  Hydrophobic surface: 533.542  Hydrophilic surface: 199.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.