Drug ID:   | NPD2757 |
Drug Name:   | Resequinil |
Molecular Formula:   | C18H14N4O3 |
Canonical SMILES:   | COc1cccc(c1)c1nccc2c1cc(c1noc(n1)C)c(n2)O |
Standard InCHI:   | InChI=1S/C18H14N4O3/c1-10-20-17(22-25-10)14-9-13-15(21-18(14)23)6-7-19-16(13)11-4-3-5-12(8-11)24-2/h3-9H,1-2H3,(H,21,23) |
Standard InCHIKey:   | JQOFKKWHXGQABB-UHFFFAOYSA-N |
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 |
---|---|---|
Intermediate Similarity | 0.792 | NPC130570 |
Intermediate Similarity | 0.7844 | NPC323345 |
Intermediate Similarity | 0.7844 | NPC470164 |
Intermediate Similarity | 0.7725 | NPC472289 |
Intermediate Similarity | 0.7588 | NPC193267 |
Intermediate Similarity | 0.7588 | NPC213530 |
Intermediate Similarity | 0.7569 | NPC287437 |
Intermediate Similarity | 0.7533 | NPC274982 |
Intermediate Similarity | 0.7468 | NPC103687 |
Intermediate Similarity | 0.7468 | NPC132631 |
Intermediate Similarity | 0.7455 | NPC82548 |
Intermediate Similarity | 0.7434 | NPC242923 |
Intermediate Similarity | 0.7401 | NPC471603 |
Intermediate Similarity | 0.7345 | NPC174672 |
Intermediate Similarity | 0.7345 | NPC174758 |
Intermediate Similarity | 0.7339 | NPC329541 |
Intermediate Similarity | 0.7325 | NPC112206 |
Intermediate Similarity | 0.7325 | NPC202605 |
Intermediate Similarity | 0.7317 | NPC472067 |
Intermediate Similarity | 0.7317 | NPC472066 |
Intermediate Similarity | 0.7317 | NPC472031 |
Intermediate Similarity | 0.7313 | NPC85273 |
Intermediate Similarity | 0.7303 | NPC30540 |
Intermediate Similarity | 0.7284 | NPC308906 |
Intermediate Similarity | 0.7257 | NPC315822 |
Intermediate Similarity | 0.724 | NPC267928 |
Intermediate Similarity | 0.7237 | NPC123976 |
Intermediate Similarity | 0.7237 | NPC167860 |
Intermediate Similarity | 0.7232 | NPC211813 |
Intermediate Similarity | 0.72 | NPC475774 |
Intermediate Similarity | 0.7196 | NPC144114 |
Intermediate Similarity | 0.7196 | NPC477891 |
Intermediate Similarity | 0.7168 | NPC285558 |
Intermediate Similarity | 0.7168 | NPC16452 |
Intermediate Similarity | 0.7168 | NPC36229 |
Intermediate Similarity | 0.7168 | NPC476581 |
Intermediate Similarity | 0.7166 | NPC472068 |
Intermediate Similarity | 0.715 | NPC177404 |
Intermediate Similarity | 0.7149 | NPC287208 |
Intermediate Similarity | 0.7143 | NPC176538 |
Intermediate Similarity | 0.7137 | NPC9729 |
Intermediate Similarity | 0.7131 | NPC471615 |
Intermediate Similarity | 0.7124 | NPC200836 |
Intermediate Similarity | 0.7124 | NPC53144 |
Intermediate Similarity | 0.7117 | NPC251090 |
Intermediate Similarity | 0.7115 | NPC97367 |
Intermediate Similarity | 0.7108 | NPC51854 |
Intermediate Similarity | 0.7104 | NPC307963 |
Intermediate Similarity | 0.71 | NPC296482 |
Intermediate Similarity | 0.71 | NPC202768 |
Intermediate Similarity | 0.71 | NPC53069 |
Intermediate Similarity | 0.7098 | NPC476582 |
Intermediate Similarity | 0.7098 | NPC4071 |
Intermediate Similarity | 0.7098 | NPC476578 |
Intermediate Similarity | 0.7093 | NPC329708 |
Intermediate Similarity | 0.7093 | NPC118832 |
Intermediate Similarity | 0.7093 | NPC47059 |
Intermediate Similarity | 0.7093 | NPC165349 |
Intermediate Similarity | 0.7093 | NPC274291 |
Intermediate Similarity | 0.7093 | NPC264166 |
Intermediate Similarity | 0.7089 | NPC322482 |
Intermediate Similarity | 0.7082 | NPC8022 |
Intermediate Similarity | 0.7082 | NPC470799 |
Intermediate Similarity | 0.7075 | NPC208060 |
Intermediate Similarity | 0.7074 | NPC476465 |
Intermediate Similarity | 0.7066 | NPC141053 |
Intermediate Similarity | 0.7062 | NPC164664 |
Intermediate Similarity | 0.7061 | NPC472111 |
Intermediate Similarity | 0.7059 | NPC133140 |
Intermediate Similarity | 0.7059 | NPC195268 |
Intermediate Similarity | 0.7056 | NPC208284 |
Intermediate Similarity | 0.7054 | NPC160666 |
Intermediate Similarity | 0.7049 | NPC184225 |
Intermediate Similarity | 0.7037 | NPC266551 |
Intermediate Similarity | 0.7035 | NPC31930 |
Intermediate Similarity | 0.7035 | NPC232727 |
Intermediate Similarity | 0.7031 | NPC313189 |
Intermediate Similarity | 0.7028 | NPC14651 |
Intermediate Similarity | 0.7028 | NPC121658 |
Intermediate Similarity | 0.7026 | NPC96405 |
Intermediate Similarity | 0.7026 | NPC171409 |
Intermediate Similarity | 0.7025 | NPC469554 |
Intermediate Similarity | 0.7021 | NPC173080 |
Intermediate Similarity | 0.7018 | NPC475070 |
Intermediate Similarity | 0.7014 | NPC278874 |
Intermediate Similarity | 0.7009 | NPC224928 |
Intermediate Similarity | 0.7008 | NPC295228 |
Intermediate Similarity | 0.7004 | NPC171393 |
Intermediate Similarity | 0.7004 | NPC60621 |
Intermediate Similarity | 0.7004 | NPC295452 |
Intermediate Similarity | 0.7004 | NPC39092 |
Intermediate Similarity | 0.7 | NPC296527 |
Intermediate Similarity | 0.7 | NPC230805 |
Remote Similarity | 0.6996 | NPC266931 |
Remote Similarity | 0.6991 | NPC234197 |
Remote Similarity | 0.6991 | NPC477019 |
Remote Similarity | 0.6981 | NPC476518 |
Remote Similarity | 0.6974 | NPC223427 |
Remote Similarity | 0.6971 | NPC314954 |
Remote Similarity | 0.697 | NPC469589 |
Remote Similarity | 0.6968 | NPC76748 |
Remote Similarity | 0.6966 | NPC237740 |
Remote Similarity | 0.6962 | NPC174049 |
Remote Similarity | 0.6958 | NPC214980 |
Remote Similarity | 0.6957 | NPC135549 |
Remote Similarity | 0.6955 | NPC101543 |
Remote Similarity | 0.6955 | NPC66083 |
Remote Similarity | 0.6953 | NPC316981 |
Remote Similarity | 0.6948 | NPC105758 |
Remote Similarity | 0.6948 | NPC476688 |
Remote Similarity | 0.6948 | NPC476686 |
Remote Similarity | 0.6944 | NPC56271 |
Remote Similarity | 0.694 | NPC11464 |
Remote Similarity | 0.694 | NPC5145 |
Remote Similarity | 0.694 | NPC290689 |
Remote Similarity | 0.6937 | NPC92111 |
Remote Similarity | 0.6933 | NPC310118 |
Remote Similarity | 0.6929 | NPC157931 |
Remote Similarity | 0.692 | NPC17565 |
Remote Similarity | 0.6919 | NPC471178 |
Remote Similarity | 0.6907 | NPC476041 |
Remote Similarity | 0.6907 | NPC304926 |
Remote Similarity | 0.6904 | NPC118121 |
Remote Similarity | 0.69 | NPC245816 |
Remote Similarity | 0.69 | NPC476138 |
Remote Similarity | 0.6897 | NPC185782 |
Remote Similarity | 0.6889 | NPC242209 |
Remote Similarity | 0.6888 | NPC2497 |
Remote Similarity | 0.6881 | NPC470474 |
Remote Similarity | 0.6881 | NPC219963 |
Remote Similarity | 0.6881 | NPC161887 |
Remote Similarity | 0.688 | NPC26679 |
Remote Similarity | 0.6878 | NPC254762 |
Remote Similarity | 0.6878 | NPC204446 |
Remote Similarity | 0.6878 | NPC473822 |
Remote Similarity | 0.6875 | NPC63109 |
Remote Similarity | 0.687 | NPC477549 |
Remote Similarity | 0.6865 | NPC91868 |
Remote Similarity | 0.6865 | NPC63971 |
Remote Similarity | 0.6864 | NPC170114 |
Remote Similarity | 0.6864 | NPC314002 |
Remote Similarity | 0.6856 | NPC295898 |
Remote Similarity | 0.6853 | NPC475910 |
Remote Similarity | 0.6844 | NPC201508 |
Remote Similarity | 0.6842 | NPC19872 |
Remote Similarity | 0.6842 | NPC329793 |
Remote Similarity | 0.6842 | NPC121772 |
Remote Similarity | 0.6842 | NPC315957 |
Remote Similarity | 0.6838 | NPC26543 |
Remote Similarity | 0.6835 | NPC12100 |
Remote Similarity | 0.6831 | NPC471762 |
Remote Similarity | 0.683 | NPC99666 |
Remote Similarity | 0.6828 | NPC239954 |
Remote Similarity | 0.6827 | NPC99891 |
Remote Similarity | 0.6825 | NPC161801 |
Remote Similarity | 0.6825 | NPC224632 |
Remote Similarity | 0.6822 | NPC470549 |
Remote Similarity | 0.682 | NPC283152 |
Remote Similarity | 0.6818 | NPC204717 |
Remote Similarity | 0.6818 | NPC284559 |
Remote Similarity | 0.6814 | NPC194967 |
Remote Similarity | 0.6814 | NPC13880 |
Remote Similarity | 0.681 | NPC193238 |
Remote Similarity | 0.6809 | NPC472098 |
Remote Similarity | 0.6805 | NPC65277 |
Remote Similarity | 0.6802 | NPC46580 |
Remote Similarity | 0.68 | NPC198673 |
Remote Similarity | 0.6795 | NPC470020 |
Remote Similarity | 0.6793 | NPC477110 |
Remote Similarity | 0.679 | NPC110151 |
Remote Similarity | 0.6787 | NPC42591 |
Remote Similarity | 0.6784 | NPC77555 |
Remote Similarity | 0.6783 | NPC74619 |
Remote Similarity | 0.6781 | NPC477111 |
Remote Similarity | 0.678 | NPC471080 |
Remote Similarity | 0.678 | NPC162530 |
Remote Similarity | 0.678 | NPC469592 |
Remote Similarity | 0.678 | NPC476287 |
Remote Similarity | 0.6778 | NPC250178 |
Remote Similarity | 0.6778 | NPC48317 |
Remote Similarity | 0.6774 | NPC288943 |
Remote Similarity | 0.6773 | NPC220765 |
Remote Similarity | 0.677 | NPC280638 |
Remote Similarity | 0.6762 | NPC26850 |
Remote Similarity | 0.6758 | NPC168486 |
Remote Similarity | 0.6758 | NPC222592 |
Remote Similarity | 0.6757 | NPC171171 |
Remote Similarity | 0.6756 | NPC141915 |
Remote Similarity | 0.6756 | NPC280964 |
Remote Similarity | 0.6756 | NPC114335 |
Remote Similarity | 0.6754 | NPC168911 |
Remote Similarity | 0.6754 | NPC212213 |
Remote Similarity | 0.6751 | NPC235076 |
Remote Similarity | 0.675 | NPC128115 |
Remote Similarity | 0.6745 | NPC48192 |
Remote Similarity | 0.6745 | NPC124542 |
Remote Similarity | 0.6745 | NPC471177 |
Remote Similarity | 0.6745 | NPC59779 |
Remote Similarity | 0.6742 | NPC62069 |
Remote Similarity | 0.6735 | NPC115595 |
TTD   | DIB002843 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 334.11 |
ALogP   | -0.6149 |
MLogP   | 2.67 |
XLogP   | 3.09 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 94.16 |
RO5 Violation   | 0 |