LTN
  Mrv0541 02231217452D          

 16 17  0  0  0  0            999 V2000
    0.4738   -0.8957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3331   -1.0672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8852   -0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302    0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1544    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1544    1.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    0.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1151    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302    1.6654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    1.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833    1.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5881   -1.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -2.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3950   -2.0233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1527   -0.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
DB04537

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@](N)(CC1=CNC2=C1C=CC=C2)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1

> <INCHI_KEY>
InChIKey=JLSKPBDKNIXMBS-VIFPVBQESA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
21.54754236117587

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_EXACT_MASS>
203.105862053

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C11H13N3O

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-2-amino-3-(1H-indol-3-yl)propanamide

> <ALOGPS_LOGP>
0.35

> <JCHEM_LOGP>
0.3694344323333335

> <ALOGPS_LOGS>
-1.89

> <JCHEM_MASS>
203.2404

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
16.79051814205109

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.949795138253851

> <JCHEM_PKA_STRONGEST_BASIC>
7.966191419613276

> <JCHEM_POLAR_SURFACE_AREA>
84.9

> <JCHEM_REFRACTIVITY>
58.02500000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.63e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-tryptophanamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB04537

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
L-Tryptophanamide

$$$$