4MP
  Mrv0541 02231217472D          

 16 17  0  0  0  0            999 V2000
   -0.7502   -0.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240    1.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568   -1.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802    0.9122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2351    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0601    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3151    0.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6476    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175    0.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2021    0.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8152    0.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6437   -0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8591   -0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2460   -0.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414   -0.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  9  2  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <DATABASE_ID>
DB04599

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=CC=C(C=C1)C(=O)N1CCCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3

> <INCHI_KEY>
ZXNRTKGTQJPIJK-UHFFFAOYSA-N

> <FORMULA>
C12H13NO3

> <MOLECULAR_WEIGHT>
219.2365

> <EXACT_MASS>
219.089543287

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.4413698569660669e-12

> <JCHEM_AVERAGE_POLARIZABILITY>
22.599879741069987

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(4-methoxybenzoyl)pyrrolidin-2-one

> <ALOGPS_LOGP>
0.55

> <JCHEM_LOGP>
1.1055021799999998

> <ALOGPS_LOGS>
-1.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.791258059303984

> <JCHEM_POLAR_SURFACE_AREA>
46.61000000000001

> <JCHEM_REFRACTIVITY>
58.9575

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.47e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB04599

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Aniracetam

> <SYNONYMS>
1-p-anisoylpyrrolidin-2-one; Aniracetam; Aniracetamun

> <INTERNATIONAL_BRANDS>
Draganon; Sarpul

$$$$