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 |
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.
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 |
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 |