Mrv1652306231722412D          

 21 22  0  0  0  0            999 V2000
   -2.6216   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071    0.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926   -0.1757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926   -1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071   -1.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4782    0.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2363   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9508    0.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811    0.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757   -0.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3882   -0.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454   -0.6817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -0.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027   -1.1705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4205    0.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920    0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9223    1.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6401    2.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    2.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027    1.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13413

> <DATABASE_NAME>
drugbank

> <SMILES>
CCN(CC)CCC1(CCC(=O)NC1=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21)

> <INCHI_KEY>
BFMBKRQFMIILCH-UHFFFAOYSA-N

> <FORMULA>
C17H24N2O2

> <MOLECULAR_WEIGHT>
288.391

> <EXACT_MASS>
288.183778021

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
32.571535091532866

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione

> <ALOGPS_LOGP>
2.69

> <JCHEM_LOGP>
1.9964788992050821

> <ALOGPS_LOGS>
-3.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.69953099890089

> <JCHEM_PKA_STRONGEST_BASIC>
9.956061195307244

> <JCHEM_POLAR_SURFACE_AREA>
49.410000000000004

> <JCHEM_REFRACTIVITY>
83.80660000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.87e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenglutarimide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13413

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Phenglutarimide

> <SYNONYMS>
Phenglutarimide

$$$$