Drug ID:   | NPD3928 |
Drug Name:   | Amodiaquine Hydrochloride |
Molecular Formula:   | C20H22ClN3O.ClH |
Canonical SMILES:   | CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC.Cl |
Standard InCHI:   | InChI=1S/C20H22ClN3O.ClH/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);1H |
Standard InCHIKey:   | KBTNVJNLEFHBSO-UHFFFAOYSA-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 |
---|---|---|
Intermediate Similarity | 0.791 | NPC475070 |
Intermediate Similarity | 0.7882 | NPC477111 |
Intermediate Similarity | 0.7869 | NPC124542 |
Intermediate Similarity | 0.7869 | NPC59779 |
Intermediate Similarity | 0.7869 | NPC471177 |
Intermediate Similarity | 0.7845 | NPC476464 |
Intermediate Similarity | 0.7824 | NPC171171 |
Intermediate Similarity | 0.7806 | NPC99666 |
Intermediate Similarity | 0.7784 | NPC471178 |
Intermediate Similarity | 0.7783 | NPC477113 |
Intermediate Similarity | 0.772 | NPC204717 |
Intermediate Similarity | 0.7716 | NPC324149 |
Intermediate Similarity | 0.768 | NPC314002 |
Intermediate Similarity | 0.7668 | NPC220765 |
Intermediate Similarity | 0.765 | NPC77555 |
Intermediate Similarity | 0.7644 | NPC184964 |
Intermediate Similarity | 0.7548 | NPC5145 |
Intermediate Similarity | 0.7536 | NPC477110 |
Intermediate Similarity | 0.7474 | NPC473764 |
Intermediate Similarity | 0.7474 | NPC314940 |
Intermediate Similarity | 0.7426 | NPC242209 |
Intermediate Similarity | 0.7424 | NPC46580 |
Intermediate Similarity | 0.7418 | NPC476041 |
Intermediate Similarity | 0.7418 | NPC469727 |
Intermediate Similarity | 0.7418 | NPC304926 |
Intermediate Similarity | 0.7391 | NPC470500 |
Intermediate Similarity | 0.7387 | NPC246700 |
Intermediate Similarity | 0.7387 | NPC128751 |
Intermediate Similarity | 0.7387 | NPC32771 |
Intermediate Similarity | 0.7371 | NPC96890 |
Intermediate Similarity | 0.7368 | NPC18348 |
Intermediate Similarity | 0.7366 | NPC315957 |
Intermediate Similarity | 0.7354 | NPC97367 |
Intermediate Similarity | 0.735 | NPC469497 |
Intermediate Similarity | 0.735 | NPC106833 |
Intermediate Similarity | 0.734 | NPC131718 |
Intermediate Similarity | 0.7327 | NPC329541 |
Intermediate Similarity | 0.7327 | NPC106937 |
Intermediate Similarity | 0.7306 | NPC214980 |
Intermediate Similarity | 0.7306 | NPC313791 |
Intermediate Similarity | 0.7306 | NPC474409 |
Intermediate Similarity | 0.7304 | NPC156704 |
Intermediate Similarity | 0.7302 | NPC477609 |
Intermediate Similarity | 0.7299 | NPC309845 |
Intermediate Similarity | 0.7282 | NPC249040 |
Intermediate Similarity | 0.7264 | NPC208284 |
Intermediate Similarity | 0.726 | NPC200836 |
Intermediate Similarity | 0.7254 | NPC252590 |
Intermediate Similarity | 0.7252 | NPC300114 |
Intermediate Similarity | 0.7249 | NPC25899 |
Intermediate Similarity | 0.7241 | NPC307963 |
Intermediate Similarity | 0.7233 | NPC476167 |
Intermediate Similarity | 0.7231 | NPC203754 |
Intermediate Similarity | 0.7231 | NPC150048 |
Intermediate Similarity | 0.7228 | NPC92111 |
Intermediate Similarity | 0.7225 | NPC47059 |
Intermediate Similarity | 0.7225 | NPC165349 |
Intermediate Similarity | 0.7225 | NPC329708 |
Intermediate Similarity | 0.7225 | NPC264166 |
Intermediate Similarity | 0.7225 | NPC274291 |
Intermediate Similarity | 0.7225 | NPC118832 |
Intermediate Similarity | 0.722 | NPC153042 |
Intermediate Similarity | 0.7215 | NPC130570 |
Intermediate Similarity | 0.7212 | NPC211813 |
Intermediate Similarity | 0.7206 | NPC326634 |
Intermediate Similarity | 0.7196 | NPC477610 |
Intermediate Similarity | 0.7196 | NPC266931 |
Intermediate Similarity | 0.7184 | NPC192315 |
Intermediate Similarity | 0.7178 | NPC471593 |
Intermediate Similarity | 0.7178 | NPC76748 |
Intermediate Similarity | 0.7173 | NPC102423 |
Intermediate Similarity | 0.7171 | NPC472193 |
Intermediate Similarity | 0.717 | NPC476116 |
Intermediate Similarity | 0.7162 | NPC477607 |
Intermediate Similarity | 0.7162 | NPC477608 |
Intermediate Similarity | 0.7157 | NPC88363 |
Intermediate Similarity | 0.715 | NPC94943 |
Intermediate Similarity | 0.7143 | NPC285558 |
Intermediate Similarity | 0.7143 | NPC60553 |
Intermediate Similarity | 0.7136 | NPC133306 |
Intermediate Similarity | 0.7129 | NPC470678 |
Intermediate Similarity | 0.7129 | NPC296527 |
Intermediate Similarity | 0.7128 | NPC259545 |
Intermediate Similarity | 0.712 | NPC48192 |
Intermediate Similarity | 0.7116 | NPC478074 |
Intermediate Similarity | 0.7115 | NPC176538 |
Intermediate Similarity | 0.7115 | NPC121772 |
Intermediate Similarity | 0.7115 | NPC315491 |
Intermediate Similarity | 0.7115 | NPC45459 |
Intermediate Similarity | 0.7111 | NPC471312 |
Intermediate Similarity | 0.711 | NPC193267 |
Intermediate Similarity | 0.711 | NPC213530 |
Intermediate Similarity | 0.71 | NPC190007 |
Intermediate Similarity | 0.7097 | NPC288445 |
Intermediate Similarity | 0.7094 | NPC95783 |
Intermediate Similarity | 0.7087 | NPC251090 |
Intermediate Similarity | 0.7087 | NPC222018 |
Intermediate Similarity | 0.7083 | NPC159319 |
Intermediate Similarity | 0.7083 | NPC473057 |
Intermediate Similarity | 0.7072 | NPC132631 |
Intermediate Similarity | 0.7072 | NPC103687 |
Intermediate Similarity | 0.7071 | NPC232340 |
Intermediate Similarity | 0.7071 | NPC42979 |
Intermediate Similarity | 0.7071 | NPC72980 |
Intermediate Similarity | 0.707 | NPC202605 |
Intermediate Similarity | 0.707 | NPC112206 |
Intermediate Similarity | 0.7056 | NPC11464 |
Intermediate Similarity | 0.7056 | NPC224764 |
Intermediate Similarity | 0.7053 | NPC474188 |
Intermediate Similarity | 0.7053 | NPC26850 |
Intermediate Similarity | 0.7053 | NPC90229 |
Intermediate Similarity | 0.705 | NPC212535 |
Intermediate Similarity | 0.705 | NPC48938 |
Intermediate Similarity | 0.704 | NPC6215 |
Intermediate Similarity | 0.7033 | NPC32002 |
Intermediate Similarity | 0.7033 | NPC213308 |
Intermediate Similarity | 0.7033 | NPC19872 |
Intermediate Similarity | 0.7033 | NPC315348 |
Intermediate Similarity | 0.7031 | NPC315214 |
Intermediate Similarity | 0.7031 | NPC47298 |
Intermediate Similarity | 0.7028 | NPC476121 |
Intermediate Similarity | 0.7028 | NPC476124 |
Intermediate Similarity | 0.7026 | NPC164664 |
Intermediate Similarity | 0.7022 | NPC477112 |
Intermediate Similarity | 0.7014 | NPC53144 |
Intermediate Similarity | 0.7009 | NPC253580 |
Intermediate Similarity | 0.7005 | NPC237740 |
Intermediate Similarity | 0.7005 | NPC13880 |
Intermediate Similarity | 0.7 | NPC144114 |
Remote Similarity | 0.6996 | NPC60006 |
Remote Similarity | 0.6995 | NPC32028 |
Remote Similarity | 0.6986 | NPC173080 |
Remote Similarity | 0.6984 | NPC469760 |
Remote Similarity | 0.6984 | NPC73952 |
Remote Similarity | 0.6984 | NPC469763 |
Remote Similarity | 0.6984 | NPC469786 |
Remote Similarity | 0.6984 | NPC259644 |
Remote Similarity | 0.6984 | NPC469765 |
Remote Similarity | 0.6984 | NPC25008 |
Remote Similarity | 0.6974 | NPC477549 |
Remote Similarity | 0.6974 | NPC44161 |
Remote Similarity | 0.6972 | NPC469928 |
Remote Similarity | 0.6972 | NPC183407 |
Remote Similarity | 0.6968 | NPC310118 |
Remote Similarity | 0.6964 | NPC470126 |
Remote Similarity | 0.6961 | NPC472289 |
Remote Similarity | 0.6957 | NPC477861 |
Remote Similarity | 0.6954 | NPC471294 |
Remote Similarity | 0.6954 | NPC208060 |
Remote Similarity | 0.6947 | NPC70922 |
Remote Similarity | 0.6947 | NPC75540 |
Remote Similarity | 0.6947 | NPC80597 |
Remote Similarity | 0.6947 | NPC211572 |
Remote Similarity | 0.6947 | NPC212376 |
Remote Similarity | 0.6946 | NPC314573 |
Remote Similarity | 0.6943 | NPC177056 |
Remote Similarity | 0.6943 | NPC177404 |
Remote Similarity | 0.6941 | NPC27041 |
Remote Similarity | 0.6939 | NPC194411 |
Remote Similarity | 0.6937 | NPC162748 |
Remote Similarity | 0.6934 | NPC223427 |
Remote Similarity | 0.6919 | NPC232727 |
Remote Similarity | 0.6916 | NPC193777 |
Remote Similarity | 0.6915 | NPC477891 |
Remote Similarity | 0.6912 | NPC128084 |
Remote Similarity | 0.6912 | NPC254762 |
Remote Similarity | 0.6912 | NPC316981 |
Remote Similarity | 0.6907 | NPC311276 |
Remote Similarity | 0.6907 | NPC56271 |
Remote Similarity | 0.6905 | NPC476175 |
Remote Similarity | 0.6901 | NPC36229 |
Remote Similarity | 0.6901 | NPC476581 |
Remote Similarity | 0.6901 | NPC16452 |
Remote Similarity | 0.69 | NPC295228 |
Remote Similarity | 0.69 | NPC215795 |
Remote Similarity | 0.69 | NPC176199 |
Remote Similarity | 0.6898 | NPC167860 |
Remote Similarity | 0.6898 | NPC123976 |
Remote Similarity | 0.6895 | NPC476161 |
Remote Similarity | 0.6895 | NPC26872 |
Remote Similarity | 0.689 | NPC473814 |
Remote Similarity | 0.689 | NPC78767 |
Remote Similarity | 0.6888 | NPC63751 |
Remote Similarity | 0.6881 | NPC162530 |
Remote Similarity | 0.6878 | NPC24678 |
Remote Similarity | 0.6878 | NPC105818 |
Remote Similarity | 0.6875 | NPC245348 |
Remote Similarity | 0.6872 | NPC329793 |
Remote Similarity | 0.687 | NPC184225 |
Remote Similarity | 0.6861 | NPC470501 |
Remote Similarity | 0.6854 | NPC475774 |
Remote Similarity | 0.6853 | NPC126481 |
Remote Similarity | 0.6849 | NPC470549 |
Remote Similarity | 0.6847 | NPC276657 |
Remote Similarity | 0.6839 | NPC135141 |
Remote Similarity | 0.6839 | NPC92796 |
Remote Similarity | 0.6837 | NPC88008 |
Remote Similarity | 0.6837 | NPC108469 |
Remote Similarity | 0.6835 | NPC48353 |
Remote Similarity | 0.6834 | NPC275305 |
Molecular Weight   | 355.15 |
ALogP   | 0.5938 |
MLogP   | 3.11 |
XLogP   | 4.03 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 10 |
TPSA   | 48.39 |
RO5 Violation   | 0 |