Mrv1652304032018302D          

  8  8  0  0  1  0            999 V2000
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673    1.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  2  4  1  6  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  7  5  1  0  0  0  0
  2  8  1  1  0  0  0
M  END
> <DATABASE_ID>
BMDB0062042

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@@]1(N)CON=C1O

> <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_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>
-1.33

> <JCHEM_LOGP>
-2.421332341545318

> <ALOGPS_LOGS>
-0.15

> <JCHEM_MDDR_LIKE_RULE>
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>
7.19e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cycloserine

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0062042

> <GENERIC_NAME>
Cycloserine

$$$$