[NO NAME]
  Mrv0541 09021218002D          
Created with ChemWriter - http://chemwriter.com
 27 29  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
CHEM022049

> <DATABASE_NAME>
chemdb

> <SMILES>
O[C@@H](C[C@@H](O)\C=C\C1=C(C2=CC=CC=C2N1)C1=CC=C(F)C=C1)CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20FNO4/c22-14-7-5-13(6-8-14)21-17-3-1-2-4-18(17)23-19(21)10-9-15(24)11-16(25)12-20(26)27/h1-10,15-16,23-25H,11-12H2,(H,26,27)/b10-9+/t15-,16-/m0/s1

> <INCHI_KEY>
POFAWBXODXSMNI-IGXNXKSNSA-N

> <FORMULA>
C21H20FNO4

> <MOLECULAR_WEIGHT>
369.3862

> <EXACT_MASS>
369.137636338

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
38.6797898367938

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3S,5R,6E)-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid

> <ALOGPS_LOGP>
2.89

> <JCHEM_LOGP>
2.828890048666666

> <ALOGPS_LOGS>
-4.44

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.54133364430453

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.715795560880031

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8401489646677467

> <JCHEM_POLAR_SURFACE_AREA>
93.54999999999998

> <JCHEM_REFRACTIVITY>
100.79120000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.35e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S,5R,6E)-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
N-Deisopropyl-fluvastatin

> <TYPES>
PFAS

$$$$