[NO NAME]
  Mrv0541 02271202182D          
Created with ChemWriter - http://chemwriter.com
 32 33  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
DB08819

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1

> <INCHI_KEY>
InChIKey=WSNODXPBBALQOF-VEJSHDCNSA-N

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
48.6535257011762

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_EXACT_MASS>
452.237430608

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C25H34F2O5

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl]hept-5-enoate

> <ALOGPS_LOGP>
4.46

> <JCHEM_LOGP>
4.2923223713333325

> <ALOGPS_LOGS>
-4.93

> <JCHEM_MASS>
452.5313

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.223490488779635

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.513877492123004

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8720050891706874

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
120.58930000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.28e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tafluprost

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08819

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Tafluprost

> <BRANDS>
Saflutan; Taflotan; Zioptan

$$$$