Mrv1652311211604252D          

 32 35  0  0  0  0            999 V2000
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    0.0312   -3.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6793   -1.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001954

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.OC1=CC2=C(C=C1)[C@H]([C@H](CC2)C1=CC=CC=C1)C1=CC=C(OCCN2CCCC2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C28H31NO2.ClH/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29;/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2;1H/t26-,28+;/m1./s1

> <INCHI_KEY>
SFWYWKVSAHDQRB-HBYDGSNJSA-N

> <FORMULA>
C28H32ClNO2

> <MOLECULAR_WEIGHT>
450.02

> <EXACT_MASS>
449.212157

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
47.63503466861005

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R,6S)-6-phenyl-5-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride

> <ALOGPS_LOGP>
6.36

> <JCHEM_LOGP>
5.9722240382087834

> <ALOGPS_LOGS>
-6.02

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.211830591499814

> <JCHEM_PKA_STRONGEST_BASIC>
8.978610620958673

> <JCHEM_POLAR_SURFACE_AREA>
32.7

> <JCHEM_REFRACTIVITY>
126.8316

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.98e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lasofoxifene hydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001954

> <NAME>
Lasofoxifene hydrochloride

> <DRUG_DRUGBANK_ID>
DB06202

> <DRUG_NAME>
Lasofoxifene

> <CAS_NUMBER>
180915-85-9

> <UNII>
UEY1KQM2MR

$$$$