Mrv0541 04191212112D          

  7  7  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8974   -1.9370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  6  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  1  0  0  0
  6  7  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00260

> <DATABASE_NAME>
drugbank

> <SMILES>
N[C@@H]1CONC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1

> <INCHI_KEY>
DYDCUQKUCUHJBH-UWTATZPHSA-N

> <FORMULA>
C3H6N2O2

> <MOLECULAR_WEIGHT>
102.0919

> <EXACT_MASS>
102.042927446

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.040050484780625006

> <JCHEM_AVERAGE_POLARIZABILITY>
8.866828047891495

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R)-4-amino-1,2-oxazolidin-3-one

> <ALOGPS_LOGP>
-2.31

> <JCHEM_LOGP>
-2.421332341545318

> <ALOGPS_LOGS>
0.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.998851660051976

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.210086895651751

> <JCHEM_PKA_STRONGEST_BASIC>
8.361863652158748

> <JCHEM_POLAR_SURFACE_AREA>
64.35

> <JCHEM_REFRACTIVITY>
21.848800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.77e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00260

> <SECONDARY_ACCESSION_NUMBERS>
APRD00894; DB03123

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Cycloserine

> <SYNONYMS>
(+)-4-amino-3-isoxazolidinone; (+)-cycloserine; alpha-Cycloserine; Cicloserina; cyclo-D-Serine; Cycloserine; Cyclosérine; Cycloserinum; D-(+)-cycloserine; D-4-amino-3-isoxazolidinone; D-4-amino-3-isoxazolidone; D-Cycloserine; DCS; Orientomycin; α-Cycloserine

> <PRODUCTS>
Cycloserine; Seromycin; Seromycin Cap 250mg

> <INTERNATIONAL_BRANDS>
Oxamycin; Tisomycin

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