Drug ID:   | NPD2091 |
Drug Name:   | Oglufanide Disodium |
Molecular Formula:   | C16H19N3O5.2Na |
Canonical SMILES:   | [O-]C(=O)CC[C@@H](C(=N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[O-])N.[Na+].[Na+] |
Standard InCHI:   | InChI=1S/C16H19N3O5.2Na/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12;;/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24);;/q;2*+1/p-2/t11-,13-;;/m0../s1 |
Standard InCHIKey:   | GDLPAGOVHZLZEK-JBUFHSOLSA-L |
Max Developmental Stage:   | Phase 2 |
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 | 0.9571 | NPC149155 |
High Similarity | 0.9571 | NPC110500 |
High Similarity | 0.9571 | NPC203468 |
High Similarity | 0.9515 | NPC283219 |
High Similarity | 0.9512 | NPC267885 |
High Similarity | 0.9408 | NPC235684 |
High Similarity | 0.9398 | NPC248041 |
High Similarity | 0.9398 | NPC126709 |
High Similarity | 0.9325 | NPC78020 |
High Similarity | 0.9222 | NPC145885 |
High Similarity | 0.9222 | NPC14113 |
High Similarity | 0.9222 | NPC84827 |
High Similarity | 0.9186 | NPC321708 |
High Similarity | 0.9107 | NPC111275 |
High Similarity | 0.9053 | NPC55772 |
High Similarity | 0.8837 | NPC71037 |
High Similarity | 0.883 | NPC213468 |
High Similarity | 0.8802 | NPC160105 |
High Similarity | 0.8791 | NPC476874 |
High Similarity | 0.8743 | NPC62749 |
High Similarity | 0.8743 | NPC315555 |
High Similarity | 0.8722 | NPC262898 |
High Similarity | 0.869 | NPC49954 |
High Similarity | 0.869 | NPC474561 |
High Similarity | 0.8675 | NPC279918 |
High Similarity | 0.8667 | NPC179701 |
High Similarity | 0.8663 | NPC15573 |
High Similarity | 0.8663 | NPC217372 |
High Similarity | 0.8663 | NPC183662 |
High Similarity | 0.8639 | NPC63751 |
High Similarity | 0.8626 | NPC293917 |
High Similarity | 0.8623 | NPC282231 |
High Similarity | 0.8613 | NPC219336 |
High Similarity | 0.8596 | NPC314603 |
High Similarity | 0.8595 | NPC473376 |
High Similarity | 0.8588 | NPC17059 |
High Similarity | 0.8579 | NPC315491 |
High Similarity | 0.8579 | NPC45459 |
High Similarity | 0.8539 | NPC213629 |
High Similarity | 0.8523 | NPC228835 |
Intermediate Similarity | 0.8485 | NPC25008 |
Intermediate Similarity | 0.8485 | NPC73952 |
Intermediate Similarity | 0.8485 | NPC469760 |
Intermediate Similarity | 0.8485 | NPC469763 |
Intermediate Similarity | 0.8485 | NPC469786 |
Intermediate Similarity | 0.8485 | NPC259644 |
Intermediate Similarity | 0.8485 | NPC469765 |
Intermediate Similarity | 0.8471 | NPC54988 |
Intermediate Similarity | 0.8462 | NPC194640 |
Intermediate Similarity | 0.8443 | NPC469762 |
Intermediate Similarity | 0.8434 | NPC211572 |
Intermediate Similarity | 0.8434 | NPC70922 |
Intermediate Similarity | 0.8434 | NPC212376 |
Intermediate Similarity | 0.8434 | NPC80597 |
Intermediate Similarity | 0.8434 | NPC75540 |
Intermediate Similarity | 0.8429 | NPC229348 |
Intermediate Similarity | 0.8413 | NPC478158 |
Intermediate Similarity | 0.84 | NPC11126 |
Intermediate Similarity | 0.8383 | NPC469785 |
Intermediate Similarity | 0.837 | NPC171317 |
Intermediate Similarity | 0.8352 | NPC469896 |
Intermediate Similarity | 0.8351 | NPC281049 |
Intermediate Similarity | 0.8343 | NPC59269 |
Intermediate Similarity | 0.8324 | NPC94752 |
Intermediate Similarity | 0.8315 | NPC227582 |
Intermediate Similarity | 0.829 | NPC313640 |
Intermediate Similarity | 0.8284 | NPC230869 |
Intermediate Similarity | 0.8281 | NPC207020 |
Intermediate Similarity | 0.828 | NPC213308 |
Intermediate Similarity | 0.8278 | NPC278434 |
Intermediate Similarity | 0.8261 | NPC11445 |
Intermediate Similarity | 0.8246 | NPC311276 |
Intermediate Similarity | 0.8239 | NPC248454 |
Intermediate Similarity | 0.8238 | NPC54744 |
Intermediate Similarity | 0.8232 | NPC314372 |
Intermediate Similarity | 0.8226 | NPC100321 |
Intermediate Similarity | 0.8216 | NPC156704 |
Intermediate Similarity | 0.8216 | NPC272483 |
Intermediate Similarity | 0.8212 | NPC165495 |
Intermediate Similarity | 0.8207 | NPC157828 |
Intermediate Similarity | 0.8207 | NPC195239 |
Intermediate Similarity | 0.8202 | NPC233936 |
Intermediate Similarity | 0.8196 | NPC478157 |
Intermediate Similarity | 0.8187 | NPC83111 |
Intermediate Similarity | 0.8187 | NPC154339 |
Intermediate Similarity | 0.8182 | NPC252338 |
Intermediate Similarity | 0.8172 | NPC131887 |
Intermediate Similarity | 0.8172 | NPC67288 |
Intermediate Similarity | 0.8156 | NPC469358 |
Intermediate Similarity | 0.8152 | NPC88315 |
Intermediate Similarity | 0.8135 | NPC82370 |
Intermediate Similarity | 0.8129 | NPC131718 |
Intermediate Similarity | 0.8125 | NPC469938 |
Intermediate Similarity | 0.8115 | NPC54420 |
Intermediate Similarity | 0.811 | NPC190296 |
Intermediate Similarity | 0.8095 | NPC193761 |
Intermediate Similarity | 0.8095 | NPC476073 |
Intermediate Similarity | 0.8093 | NPC75634 |
Intermediate Similarity | 0.8075 | NPC473640 |
Intermediate Similarity | 0.8059 | NPC285469 |
Intermediate Similarity | 0.8056 | NPC163055 |
Intermediate Similarity | 0.8054 | NPC267343 |
Intermediate Similarity | 0.8045 | NPC91179 |
Intermediate Similarity | 0.8042 | NPC475506 |
Intermediate Similarity | 0.8036 | NPC105818 |
Intermediate Similarity | 0.8036 | NPC24678 |
Intermediate Similarity | 0.8035 | NPC40779 |
Intermediate Similarity | 0.8033 | NPC175474 |
Intermediate Similarity | 0.8032 | NPC74413 |
Intermediate Similarity | 0.8031 | NPC162860 |
Intermediate Similarity | 0.8021 | NPC88008 |
Intermediate Similarity | 0.8021 | NPC323927 |
Intermediate Similarity | 0.8012 | NPC159856 |
Intermediate Similarity | 0.8 | NPC201700 |
Intermediate Similarity | 0.8 | NPC155143 |
Intermediate Similarity | 0.7989 | NPC470497 |
Intermediate Similarity | 0.7979 | NPC470499 |
Intermediate Similarity | 0.7978 | NPC317030 |
Intermediate Similarity | 0.7967 | NPC280290 |
Intermediate Similarity | 0.7967 | NPC15102 |
Intermediate Similarity | 0.7949 | NPC320968 |
Intermediate Similarity | 0.7946 | NPC138370 |
Intermediate Similarity | 0.7946 | NPC473763 |
Intermediate Similarity | 0.7946 | NPC117244 |
Intermediate Similarity | 0.7938 | NPC271862 |
Intermediate Similarity | 0.7933 | NPC64436 |
Intermediate Similarity | 0.7931 | NPC102423 |
Intermediate Similarity | 0.7923 | NPC474707 |
Intermediate Similarity | 0.7914 | NPC202812 |
Intermediate Similarity | 0.7912 | NPC477003 |
Intermediate Similarity | 0.7906 | NPC260900 |
Intermediate Similarity | 0.7889 | NPC248462 |
Intermediate Similarity | 0.7887 | NPC258062 |
Intermediate Similarity | 0.7887 | NPC127677 |
Intermediate Similarity | 0.788 | NPC204565 |
Intermediate Similarity | 0.7879 | NPC469761 |
Intermediate Similarity | 0.7879 | NPC469780 |
Intermediate Similarity | 0.7879 | NPC469783 |
Intermediate Similarity | 0.7879 | NPC469768 |
Intermediate Similarity | 0.7879 | NPC469767 |
Intermediate Similarity | 0.7879 | NPC469784 |
Intermediate Similarity | 0.7879 | NPC469779 |
Intermediate Similarity | 0.7874 | NPC16667 |
Intermediate Similarity | 0.7871 | NPC64216 |
Intermediate Similarity | 0.7865 | NPC98715 |
Intermediate Similarity | 0.7861 | NPC472210 |
Intermediate Similarity | 0.7861 | NPC247735 |
Intermediate Similarity | 0.7861 | NPC81802 |
Intermediate Similarity | 0.7861 | NPC472295 |
Intermediate Similarity | 0.7861 | NPC269886 |
Intermediate Similarity | 0.7853 | NPC96102 |
Intermediate Similarity | 0.7846 | NPC223791 |
Intermediate Similarity | 0.7846 | NPC107077 |
Intermediate Similarity | 0.7839 | NPC477715 |
Intermediate Similarity | 0.7838 | NPC173028 |
Intermediate Similarity | 0.7838 | NPC65215 |
Intermediate Similarity | 0.7835 | NPC46225 |
Intermediate Similarity | 0.7835 | NPC225821 |
Intermediate Similarity | 0.7831 | NPC469766 |
Intermediate Similarity | 0.7828 | NPC474412 |
Intermediate Similarity | 0.7819 | NPC294693 |
Intermediate Similarity | 0.7818 | NPC73767 |
Intermediate Similarity | 0.7811 | NPC471957 |
Intermediate Similarity | 0.7807 | NPC473342 |
Intermediate Similarity | 0.7807 | NPC477167 |
Intermediate Similarity | 0.7807 | NPC472292 |
Intermediate Similarity | 0.7805 | NPC105127 |
Intermediate Similarity | 0.7805 | NPC84911 |
Intermediate Similarity | 0.78 | NPC477714 |
Intermediate Similarity | 0.7796 | NPC329858 |
Intermediate Similarity | 0.7796 | NPC314333 |
Intermediate Similarity | 0.7791 | NPC207726 |
Intermediate Similarity | 0.7789 | NPC50503 |
Intermediate Similarity | 0.7789 | NPC52557 |
Intermediate Similarity | 0.7789 | NPC149708 |
Intermediate Similarity | 0.7789 | NPC36405 |
Intermediate Similarity | 0.7784 | NPC42372 |
Intermediate Similarity | 0.7784 | NPC472323 |
Intermediate Similarity | 0.7778 | NPC472293 |
Intermediate Similarity | 0.7772 | NPC473317 |
Intermediate Similarity | 0.7772 | NPC163421 |
Intermediate Similarity | 0.7772 | NPC476098 |
Intermediate Similarity | 0.7772 | NPC314002 |
Intermediate Similarity | 0.7772 | NPC188387 |
Intermediate Similarity | 0.7772 | NPC99939 |
Intermediate Similarity | 0.7772 | NPC308931 |
Intermediate Similarity | 0.7766 | NPC72956 |
Intermediate Similarity | 0.7765 | NPC313791 |
Intermediate Similarity | 0.776 | NPC220765 |
Intermediate Similarity | 0.776 | NPC300183 |
Intermediate Similarity | 0.7759 | NPC92796 |
Intermediate Similarity | 0.7759 | NPC135141 |
Intermediate Similarity | 0.775 | NPC472285 |
Intermediate Similarity | 0.7744 | NPC261195 |
Intermediate Similarity | 0.7744 | NPC29886 |
Intermediate Similarity | 0.7742 | NPC63199 |
Intermediate Similarity | 0.7742 | NPC102338 |
Intermediate Similarity | 0.7742 | NPC111602 |
Intermediate Similarity | 0.7742 | NPC196251 |
Intermediate Similarity | 0.7735 | NPC151939 |
Molecular Weight   | 331.12 |
ALogP   | -3.5921 |
MLogP   | 2.34 |
XLogP   | -2.088 |
HDA   | 8 |
HBD   | 3 |
Rotatable Bonds   | 12 |
TPSA   | 154.66 |
RO5 Violation   | 0 |