5RM
  Mrv0541 02231215372D          

 19 20  0  0  0  0            999 V2000
    2.5156   -3.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -2.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2057   -2.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -1.8611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9508   -1.8611    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1421   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3924   -1.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4128   -1.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9712   -0.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829    0.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    1.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0807    0.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6391   -0.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3274    0.9280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2311    1.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156    2.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5428    2.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 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
M  END
> <DATABASE_ID>
DB01647

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCOC1=CC(=CC=C1OC)[C@]1(C)CNC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1

> <INCHI_KEY>
PCCPERGCFKIYIS-AWEZNQCLSA-N

> <FORMULA>
C14H19NO4

> <MOLECULAR_WEIGHT>
265.305

> <EXACT_MASS>
265.131408101

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.8796169163495505e-06

> <JCHEM_AVERAGE_POLARIZABILITY>
28.419338787860738

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one

> <ALOGPS_LOGP>
2.28

> <JCHEM_LOGP>
2.2699586043333335

> <ALOGPS_LOGS>
-2.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.725929151797628

> <JCHEM_PKA_STRONGEST_BASIC>
-4.60124237359361

> <JCHEM_POLAR_SURFACE_AREA>
56.790000000000006

> <JCHEM_REFRACTIVITY>
70.1372

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.13e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01647

> <SECONDARY_ACCESSION_NUMBERS>
EXPT00259

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Daxalipram

> <SYNONYMS>
(R)-Mesopram; Daxalipram

$$$$