Mrv0541 02231216132D          

 25 24  0  0  1  0            999 V2000
   -2.4896    6.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    5.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328    5.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6040    4.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1761    3.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9473    2.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5193    2.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2905    1.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600    0.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879    0.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0871    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858    1.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5146    0.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3155    0.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883    0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604    1.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    0.9126    0.0000 P   0  0  1  0  0  0  0  0  0  0  0  0
    4.8631    0.1118    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    1.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8621    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4341    1.3089    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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
 21 22  1  6  0  0  0
 21 23  2  0  0  0  0
 21 24  1  1  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
DB02465

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC[P@@](F)(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7+,11-10+,14-13+,17-16+/t25-/m1/s1

> <INCHI_KEY>
InChIKey=KWKZCGMJGHHOKJ-PDXKBQATSA-N

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
42.6496319022305

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
370.243695113

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C21H36FO2P

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(R)-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraen-1-yl](methoxy)phosphinoyl fluoride

> <ALOGPS_LOGP>
6.87

> <JCHEM_LOGP>
6.826752058

> <ALOGPS_LOGS>
-5.99

> <JCHEM_MASS>
370.4815

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.517155079709234

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
112.67679999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.80e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(R)-(5E,8E,11E,14E)-icosa-5,8,11,14-tetraen-1-yl(methoxy)phosphinoyl fluoride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02465

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Methoxy arachidonyl fluorophosphonate

$$$$