Mrv1718005221813592D          

 21 20  0  0  0  0            999 V2000
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   -0.3573    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2151   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3572   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  8 12  2  0  0  0  0
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  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
DB14043

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCCCCCC(=O)NCCO

> <INCHI_IDENTIFIER>
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)

> <INCHI_KEY>
HXYVTAGFYLMHSO-UHFFFAOYSA-N

> <FORMULA>
C18H37NO2

> <MOLECULAR_WEIGHT>
299.4919

> <EXACT_MASS>
299.282429433

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
40.050620802529124

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(2-hydroxyethyl)hexadecanamide

> <ALOGPS_LOGP>
5.74

> <JCHEM_LOGP>
4.983214217666667

> <ALOGPS_LOGS>
-5.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.4516777131807

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.46316276250879

> <JCHEM_PKA_STRONGEST_BASIC>
-1.308612918628579

> <JCHEM_POLAR_SURFACE_AREA>
49.33

> <JCHEM_REFRACTIVITY>
90.09479999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.36e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
palmitoylethanolamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14043

> <DRUG_GROUPS>
experimental; nutraceutical

> <GENERIC_NAME>
Palmidrol

> <SYNONYMS>
Hydroxyethylpalmitamide; Monoethanolamine palmitic acid amide; N-(2-Hydroxyethyl)palmitamide; N-hexadecanoylethanolamine; N-palmitoylethanolamine; Palmidrol; palmidrolum; Palmitamide MEA; Palmitic acid monoethanolamide; Palmitinsaeure-beta-hydroxyethylamid; Palmitoyl ethanolamide; Palmitoyl-EA; Palmitoylethanolamide

> <INTERNATIONAL_BRANDS>
Palmdrol prodes

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