Mrv1909 12052217152D          

 20 20  0  0  0  0            999 V2000
    1.8529   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5674   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2818   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9963   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7108   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4253   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1397   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5687   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2831   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -8.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121   -8.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4266   -8.5585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1082   -8.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8965   -8.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1980   -9.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7855   -9.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9697   -9.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3649   -9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5969   -9.6826    0.0000 O   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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <DATABASE_ID>
DB17308

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCCN1CCCCCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3

> <INCHI_KEY>
AXTGDCSMTYGJND-UHFFFAOYSA-N

> <FORMULA>
C18H35NO

> <MOLECULAR_WEIGHT>
281.484

> <EXACT_MASS>
281.271864751

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.3010686606227278e-08

> <JCHEM_AVERAGE_POLARIZABILITY>
37.25802867321657

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-dodecylazepan-2-one

> <ALOGPS_LOGP>
5.32

> <JCHEM_LOGP>
5.413652432

> <ALOGPS_LOGS>
-5.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8856997783853683

> <JCHEM_POLAR_SURFACE_AREA>
20.310000000000002

> <JCHEM_REFRACTIVITY>
87.03819999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.26e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
laurocapram

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB17308

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Laurocapram

> <SYNONYMS>
1-dodecylazacycloheptan-2-one; 1-dodecylhexahydro-2h-azepin-2-one; 1-n-dodecylazacycloheptan-2-one; 2h-azepin-2-one, 1-dodecylhexahydro-; Azone; N-dodecyl-.epsilon.-caprolactam

> <PRODUCTS>
Fatazen Sweat Enhance Hot

$$$$