Drug Information

Drug ID:  NPD482
Drug Name:  Tryptophan
Molecular Formula:  C11H12N2O2
Canonical SMILES:  OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N
Standard InCHI:  InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
Standard InCHIKey:  QIVBCDIJIAJPQS-VIFPVBQESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD482

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC149155
High Similarity 1.0 NPC203468
High Similarity 1.0 NPC110500
High Similarity 0.9936 NPC267885
High Similarity 0.9811 NPC126709
High Similarity 0.9811 NPC283219
High Similarity 0.9811 NPC248041
High Similarity 0.9744 NPC78020
High Similarity 0.9503 NPC14113
High Similarity 0.9503 NPC84827
High Similarity 0.9503 NPC145885
High Similarity 0.9455 NPC235684
High Similarity 0.9341 NPC321708
High Similarity 0.9325 NPC55772
High Similarity 0.9264 NPC111275
High Similarity 0.9057 NPC279918
High Similarity 0.903 NPC217372
High Similarity 0.903 NPC183662
High Similarity 0.903 NPC15573
High Similarity 0.9017 NPC179701
High Similarity 0.9 NPC282231
High Similarity 0.8994 NPC315555
High Similarity 0.8976 NPC219336
High Similarity 0.8976 NPC213468
High Similarity 0.8966 NPC262898
High Similarity 0.8882 NPC62749
High Similarity 0.8834 NPC160105
High Similarity 0.8834 NPC54988
High Similarity 0.8834 NPC474561
High Similarity 0.8834 NPC49954
High Similarity 0.8814 NPC45459
High Similarity 0.8814 NPC315491
High Similarity 0.878 NPC63751
High Similarity 0.8757 NPC71037
High Similarity 0.8721 NPC17059
High Similarity 0.8655 NPC228835
High Similarity 0.8639 NPC11126
High Similarity 0.8625 NPC259644
High Similarity 0.8625 NPC469763
High Similarity 0.8625 NPC469760
High Similarity 0.8625 NPC73952
High Similarity 0.8625 NPC469765
High Similarity 0.8625 NPC469786
High Similarity 0.8625 NPC25008
High Similarity 0.8623 NPC314603
High Similarity 0.8619 NPC473376
High Similarity 0.8611 NPC476874
High Similarity 0.8598 NPC194640
High Similarity 0.8588 NPC469896
High Similarity 0.858 NPC469762
High Similarity 0.8571 NPC212376
High Similarity 0.8571 NPC70922
High Similarity 0.8571 NPC211572
High Similarity 0.8571 NPC75540
High Similarity 0.8571 NPC80597
High Similarity 0.8563 NPC213629
High Similarity 0.8539 NPC272483
High Similarity 0.8528 NPC230869
High Similarity 0.8519 NPC469785
High Similarity 0.8514 NPC83111
Intermediate Similarity 0.8481 NPC314372
Intermediate Similarity 0.8471 NPC59269
Intermediate Similarity 0.8471 NPC190296
Intermediate Similarity 0.8448 NPC94752
Intermediate Similarity 0.8444 NPC293917
Intermediate Similarity 0.8432 NPC478158
Intermediate Similarity 0.84 NPC278434
Intermediate Similarity 0.8398 NPC213308
Intermediate Similarity 0.8389 NPC171317
Intermediate Similarity 0.8382 NPC469358
Intermediate Similarity 0.8373 NPC311276
Intermediate Similarity 0.8365 NPC159856
Intermediate Similarity 0.8364 NPC131718
Intermediate Similarity 0.8363 NPC248454
Intermediate Similarity 0.8333 NPC227582
Intermediate Similarity 0.8333 NPC165495
Intermediate Similarity 0.8324 NPC233936
Intermediate Similarity 0.8305 NPC154339
Intermediate Similarity 0.8298 NPC207020
Intermediate Similarity 0.8268 NPC88315
Intermediate Similarity 0.8254 NPC54744
Intermediate Similarity 0.8254 NPC229348
Intermediate Similarity 0.8245 NPC82370
Intermediate Similarity 0.8232 NPC156704
Intermediate Similarity 0.8222 NPC202812
Intermediate Similarity 0.8211 NPC313640
Intermediate Similarity 0.8211 NPC478157
Intermediate Similarity 0.8205 NPC96102
Intermediate Similarity 0.8197 NPC252338
Intermediate Similarity 0.8187 NPC67288
Intermediate Similarity 0.8187 NPC131887
Intermediate Similarity 0.8182 NPC285469
Intermediate Similarity 0.8177 NPC11445
Intermediate Similarity 0.8171 NPC163055
Intermediate Similarity 0.8167 NPC267343
Intermediate Similarity 0.8161 NPC91179
Intermediate Similarity 0.816 NPC24678
Intermediate Similarity 0.816 NPC105818
Intermediate Similarity 0.8155 NPC102423
Intermediate Similarity 0.8155 NPC40779
Intermediate Similarity 0.8153 NPC105127
Intermediate Similarity 0.8153 NPC84911
Intermediate Similarity 0.8148 NPC471957
Intermediate Similarity 0.8146 NPC175474
Intermediate Similarity 0.814 NPC469938
Intermediate Similarity 0.8128 NPC88008
Intermediate Similarity 0.8128 NPC54420
Intermediate Similarity 0.8122 NPC157828
Intermediate Similarity 0.8122 NPC195239
Intermediate Similarity 0.8118 NPC201700
Intermediate Similarity 0.8108 NPC476073
Intermediate Similarity 0.8108 NPC193761
Intermediate Similarity 0.8105 NPC75634
Intermediate Similarity 0.809 NPC317030
Intermediate Similarity 0.8089 NPC261195
Intermediate Similarity 0.8089 NPC29886
Intermediate Similarity 0.8087 NPC473640
Intermediate Similarity 0.8083 NPC281049
Intermediate Similarity 0.8056 NPC138370
Intermediate Similarity 0.8054 NPC475506
Intermediate Similarity 0.805 NPC110126
Intermediate Similarity 0.805 NPC73767
Intermediate Similarity 0.8043 NPC100321
Intermediate Similarity 0.8042 NPC162860
Intermediate Similarity 0.8034 NPC474707
Intermediate Similarity 0.8032 NPC323927
Intermediate Similarity 0.8011 NPC155143
Intermediate Similarity 0.8 NPC469779
Intermediate Similarity 0.8 NPC42372
Intermediate Similarity 0.8 NPC216713
Intermediate Similarity 0.8 NPC470497
Intermediate Similarity 0.8 NPC469783
Intermediate Similarity 0.8 NPC279081
Intermediate Similarity 0.8 NPC469767
Intermediate Similarity 0.8 NPC469768
Intermediate Similarity 0.8 NPC469784
Intermediate Similarity 0.8 NPC248462
Intermediate Similarity 0.8 NPC469761
Intermediate Similarity 0.8 NPC469780
Intermediate Similarity 0.7989 NPC306376
Intermediate Similarity 0.7989 NPC204565
Intermediate Similarity 0.7988 NPC16667
Intermediate Similarity 0.7978 NPC163421
Intermediate Similarity 0.7978 NPC280290
Intermediate Similarity 0.7978 NPC15102
Intermediate Similarity 0.7978 NPC314002
Intermediate Similarity 0.7978 NPC188387
Intermediate Similarity 0.7968 NPC476098
Intermediate Similarity 0.7966 NPC220765
Intermediate Similarity 0.7956 NPC473763
Intermediate Similarity 0.7956 NPC117244
Intermediate Similarity 0.795 NPC469766
Intermediate Similarity 0.7949 NPC82295
Intermediate Similarity 0.7946 NPC74413
Intermediate Similarity 0.7944 NPC173028
Intermediate Similarity 0.7944 NPC65215
Intermediate Similarity 0.7943 NPC284775
Intermediate Similarity 0.7943 NPC64436
Intermediate Similarity 0.7923 NPC294693
Intermediate Similarity 0.7921 NPC477003
Intermediate Similarity 0.7921 NPC204717
Intermediate Similarity 0.7917 NPC471194
Intermediate Similarity 0.7917 NPC471193
Intermediate Similarity 0.7912 NPC477167
Intermediate Similarity 0.7912 NPC473342
Intermediate Similarity 0.7904 NPC207726
Intermediate Similarity 0.7901 NPC329858
Intermediate Similarity 0.7901 NPC314333
Intermediate Similarity 0.7892 NPC52557
Intermediate Similarity 0.7892 NPC470499
Intermediate Similarity 0.7892 NPC50503
Intermediate Similarity 0.7889 NPC46580
Intermediate Similarity 0.7888 NPC230002
Intermediate Similarity 0.7874 NPC313791
Intermediate Similarity 0.787 NPC135141
Intermediate Similarity 0.787 NPC92796
Intermediate Similarity 0.7869 NPC472210
Intermediate Similarity 0.7869 NPC247735
Intermediate Similarity 0.7869 NPC81802
Intermediate Similarity 0.7869 NPC472295
Intermediate Similarity 0.7869 NPC269886
Intermediate Similarity 0.7865 NPC72956
Intermediate Similarity 0.7861 NPC300183
Intermediate Similarity 0.7853 NPC223791
Intermediate Similarity 0.7853 NPC107077
Intermediate Similarity 0.7845 NPC102338
Intermediate Similarity 0.7845 NPC63199
Intermediate Similarity 0.7845 NPC111602
Intermediate Similarity 0.7845 NPC196251
Intermediate Similarity 0.7844 NPC200214
Intermediate Similarity 0.7841 NPC151939
Intermediate Similarity 0.7833 NPC171171
Intermediate Similarity 0.7829 NPC293216
Intermediate Similarity 0.7824 NPC118940
Intermediate Similarity 0.7824 NPC153980
Intermediate Similarity 0.7824 NPC6865
Intermediate Similarity 0.7819 NPC260900
Intermediate Similarity 0.7819 NPC57398
Intermediate Similarity 0.7816 NPC470498
Intermediate Similarity 0.7814 NPC472292

Drug Structure

External Identifiers

TTD   DAP001316
DrugBank   DB00150
ChEMBL   CHEMBL54976
IUPHAR/BPS  
PharmaGKB   PA10323
KEGG Drug   D00020
PubChem CID   6305
ChEBI   16828
CAS Number  73-22-3

Drug Properties

Molecular Weight  204.09
ALogP  -1.5048
MLogP  2.23
XLogP  -0.96
HDA  4
HBD  3
Rotatable Bonds  5
TPSA  79.11
RO5 Violation  0