Drug ID:   | NPD4305 |
Drug Name:   | |
Molecular Formula:   | C21H14ClNO3 |
Canonical SMILES:   | Clc1ccc2c(c1)nc(c(c2O)c1cccc(c1)Oc1ccccc1)O |
Standard InCHI:   | InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25) |
Standard InCHIKey:   | FLVRDMUHUXVRET-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | 0.8324 | NPC288943 |
Intermediate Similarity | 0.8316 | NPC66083 |
Intermediate Similarity | 0.828 | NPC283152 |
Intermediate Similarity | 0.8158 | NPC62069 |
Intermediate Similarity | 0.8073 | NPC61350 |
Intermediate Similarity | 0.8051 | NPC141915 |
Intermediate Similarity | 0.8051 | NPC114335 |
Intermediate Similarity | 0.8051 | NPC280964 |
Intermediate Similarity | 0.801 | NPC469440 |
Intermediate Similarity | 0.8 | NPC469390 |
Intermediate Similarity | 0.7927 | NPC42591 |
Intermediate Similarity | 0.7882 | NPC137929 |
Intermediate Similarity | 0.7882 | NPC164374 |
Intermediate Similarity | 0.7828 | NPC79293 |
Intermediate Similarity | 0.7828 | NPC279401 |
Intermediate Similarity | 0.7772 | NPC26850 |
Intermediate Similarity | 0.7767 | NPC470931 |
Intermediate Similarity | 0.7721 | NPC473449 |
Intermediate Similarity | 0.761 | NPC66815 |
Intermediate Similarity | 0.7524 | NPC475085 |
Intermediate Similarity | 0.7524 | NPC475112 |
Intermediate Similarity | 0.7524 | NPC291535 |
Intermediate Similarity | 0.7523 | NPC473822 |
Intermediate Similarity | 0.7514 | NPC26872 |
Intermediate Similarity | 0.7513 | NPC312872 |
Intermediate Similarity | 0.75 | NPC472111 |
Intermediate Similarity | 0.75 | NPC304183 |
Intermediate Similarity | 0.7488 | NPC223427 |
Intermediate Similarity | 0.7451 | NPC224928 |
Intermediate Similarity | 0.7427 | NPC11017 |
Intermediate Similarity | 0.7402 | NPC473053 |
Intermediate Similarity | 0.7387 | NPC201508 |
Intermediate Similarity | 0.7373 | NPC469439 |
Intermediate Similarity | 0.7371 | NPC48353 |
Intermediate Similarity | 0.7366 | NPC243834 |
Intermediate Similarity | 0.7366 | NPC70956 |
Intermediate Similarity | 0.7364 | NPC200888 |
Intermediate Similarity | 0.735 | NPC204385 |
Intermediate Similarity | 0.7327 | NPC148409 |
Intermediate Similarity | 0.7323 | NPC206201 |
Intermediate Similarity | 0.7308 | NPC60553 |
Intermediate Similarity | 0.7308 | NPC267423 |
Intermediate Similarity | 0.7304 | NPC289786 |
Intermediate Similarity | 0.7297 | NPC476997 |
Intermediate Similarity | 0.7294 | NPC174049 |
Intermediate Similarity | 0.729 | NPC203168 |
Intermediate Similarity | 0.7277 | NPC177404 |
Intermediate Similarity | 0.7277 | NPC219664 |
Intermediate Similarity | 0.7273 | NPC135887 |
Intermediate Similarity | 0.7273 | NPC199277 |
Intermediate Similarity | 0.7273 | NPC478032 |
Intermediate Similarity | 0.7265 | NPC476996 |
Intermediate Similarity | 0.7265 | NPC476998 |
Intermediate Similarity | 0.7251 | NPC476106 |
Intermediate Similarity | 0.7246 | NPC72211 |
Intermediate Similarity | 0.7244 | NPC255800 |
Intermediate Similarity | 0.7244 | NPC96584 |
Intermediate Similarity | 0.724 | NPC118511 |
Intermediate Similarity | 0.7238 | NPC162484 |
Intermediate Similarity | 0.7233 | NPC70259 |
Intermediate Similarity | 0.723 | NPC209769 |
Intermediate Similarity | 0.7227 | NPC122463 |
Intermediate Similarity | 0.722 | NPC476994 |
Intermediate Similarity | 0.7217 | NPC193777 |
Intermediate Similarity | 0.7209 | NPC112206 |
Intermediate Similarity | 0.7209 | NPC202605 |
Intermediate Similarity | 0.7204 | NPC329708 |
Intermediate Similarity | 0.7204 | NPC47059 |
Intermediate Similarity | 0.7204 | NPC165349 |
Intermediate Similarity | 0.7204 | NPC264166 |
Intermediate Similarity | 0.7204 | NPC274291 |
Intermediate Similarity | 0.7204 | NPC118832 |
Intermediate Similarity | 0.7184 | NPC205934 |
Intermediate Similarity | 0.7184 | NPC43787 |
Intermediate Similarity | 0.7182 | NPC477532 |
Intermediate Similarity | 0.7169 | NPC473179 |
Intermediate Similarity | 0.7169 | NPC193267 |
Intermediate Similarity | 0.7169 | NPC213530 |
Intermediate Similarity | 0.7164 | NPC320394 |
Intermediate Similarity | 0.7162 | NPC97746 |
Intermediate Similarity | 0.715 | NPC201697 |
Intermediate Similarity | 0.7143 | NPC252251 |
Intermediate Similarity | 0.7129 | NPC128823 |
Intermediate Similarity | 0.7129 | NPC280714 |
Intermediate Similarity | 0.7111 | NPC209174 |
Intermediate Similarity | 0.7107 | NPC474409 |
Intermediate Similarity | 0.7101 | NPC131017 |
Intermediate Similarity | 0.708 | NPC477531 |
Intermediate Similarity | 0.7073 | NPC471593 |
Intermediate Similarity | 0.7062 | NPC476044 |
Intermediate Similarity | 0.7059 | NPC161292 |
Intermediate Similarity | 0.7056 | NPC474595 |
Intermediate Similarity | 0.705 | NPC88363 |
Intermediate Similarity | 0.7042 | NPC36229 |
Intermediate Similarity | 0.7042 | NPC476581 |
Intermediate Similarity | 0.7042 | NPC16452 |
Intermediate Similarity | 0.7042 | NPC285558 |
Intermediate Similarity | 0.703 | NPC176127 |
Intermediate Similarity | 0.7024 | NPC110741 |
Intermediate Similarity | 0.7018 | NPC474594 |
Intermediate Similarity | 0.7014 | NPC234197 |
Intermediate Similarity | 0.7011 | NPC280853 |
Intermediate Similarity | 0.7009 | NPC475841 |
Intermediate Similarity | 0.7009 | NPC474145 |
Intermediate Similarity | 0.7005 | NPC195268 |
Intermediate Similarity | 0.7005 | NPC133140 |
Intermediate Similarity | 0.7 | NPC476995 |
Remote Similarity | 0.6996 | NPC118121 |
Remote Similarity | 0.6995 | NPC475774 |
Remote Similarity | 0.6995 | NPC84478 |
Remote Similarity | 0.6991 | NPC469589 |
Remote Similarity | 0.6987 | NPC277351 |
Remote Similarity | 0.6973 | NPC285016 |
Remote Similarity | 0.6973 | NPC245657 |
Remote Similarity | 0.6971 | NPC475190 |
Remote Similarity | 0.6968 | NPC204446 |
Remote Similarity | 0.6967 | NPC4071 |
Remote Similarity | 0.6967 | NPC476582 |
Remote Similarity | 0.6967 | NPC476578 |
Remote Similarity | 0.6963 | NPC470930 |
Remote Similarity | 0.6961 | NPC94943 |
Remote Similarity | 0.6959 | NPC290689 |
Remote Similarity | 0.6957 | NPC471596 |
Remote Similarity | 0.6955 | NPC470799 |
Remote Similarity | 0.6955 | NPC8022 |
Remote Similarity | 0.6952 | NPC474188 |
Remote Similarity | 0.6947 | NPC473185 |
Remote Similarity | 0.6946 | NPC212535 |
Remote Similarity | 0.6946 | NPC133306 |
Remote Similarity | 0.6944 | NPC475910 |
Remote Similarity | 0.6942 | NPC242928 |
Remote Similarity | 0.6937 | NPC298436 |
Remote Similarity | 0.6934 | NPC329747 |
Remote Similarity | 0.6927 | NPC194040 |
Remote Similarity | 0.692 | NPC280272 |
Remote Similarity | 0.6912 | NPC190007 |
Remote Similarity | 0.6911 | NPC153769 |
Remote Similarity | 0.6909 | NPC16066 |
Remote Similarity | 0.6906 | NPC132642 |
Remote Similarity | 0.6905 | NPC251090 |
Remote Similarity | 0.6901 | NPC470586 |
Remote Similarity | 0.6901 | NPC31930 |
Remote Similarity | 0.6898 | NPC193238 |
Remote Similarity | 0.6897 | NPC474798 |
Remote Similarity | 0.6892 | NPC469594 |
Remote Similarity | 0.6881 | NPC470020 |
Remote Similarity | 0.6881 | NPC167860 |
Remote Similarity | 0.6881 | NPC269367 |
Remote Similarity | 0.6881 | NPC72980 |
Remote Similarity | 0.6881 | NPC123976 |
Remote Similarity | 0.6872 | NPC153042 |
Remote Similarity | 0.6869 | NPC44161 |
Remote Similarity | 0.6864 | NPC471080 |
Remote Similarity | 0.6864 | NPC478074 |
Remote Similarity | 0.6864 | NPC469592 |
Remote Similarity | 0.6862 | NPC471598 |
Remote Similarity | 0.686 | NPC128751 |
Remote Similarity | 0.686 | NPC246700 |
Remote Similarity | 0.6856 | NPC476999 |
Remote Similarity | 0.6856 | NPC300114 |
Remote Similarity | 0.6854 | NPC329793 |
Remote Similarity | 0.6854 | NPC249040 |
Remote Similarity | 0.6847 | NPC168486 |
Remote Similarity | 0.6847 | NPC222592 |
Remote Similarity | 0.6845 | NPC314573 |
Remote Similarity | 0.6833 | NPC235076 |
Remote Similarity | 0.683 | NPC477533 |
Remote Similarity | 0.6827 | NPC106833 |
Remote Similarity | 0.6827 | NPC469497 |
Remote Similarity | 0.6824 | NPC11408 |
Remote Similarity | 0.6818 | NPC296482 |
Remote Similarity | 0.6818 | NPC94157 |
Remote Similarity | 0.6818 | NPC96405 |
Remote Similarity | 0.6818 | NPC108469 |
Remote Similarity | 0.6818 | NPC202768 |
Remote Similarity | 0.6818 | NPC171409 |
Remote Similarity | 0.6818 | NPC53069 |
Remote Similarity | 0.6814 | NPC118776 |
Remote Similarity | 0.6814 | NPC205372 |
Remote Similarity | 0.6814 | NPC144114 |
Remote Similarity | 0.6812 | NPC469792 |
Remote Similarity | 0.681 | NPC307963 |
Remote Similarity | 0.6808 | NPC287437 |
Remote Similarity | 0.6804 | NPC199667 |
Remote Similarity | 0.6804 | NPC188420 |
Remote Similarity | 0.6802 | NPC159319 |
Remote Similarity | 0.6797 | NPC473182 |
Remote Similarity | 0.6787 | NPC266931 |
Remote Similarity | 0.6782 | NPC56618 |
Remote Similarity | 0.678 | NPC188400 |
Remote Similarity | 0.6776 | NPC176538 |
Remote Similarity | 0.6776 | NPC477019 |
Remote Similarity | 0.6774 | NPC471594 |
Remote Similarity | 0.6773 | NPC87413 |
Remote Similarity | 0.6773 | NPC208284 |
Remote Similarity | 0.6766 | NPC99891 |
Remote Similarity | 0.6766 | NPC217554 |
Remote Similarity | 0.6762 | NPC99666 |
Remote Similarity | 0.6758 | NPC185782 |
Remote Similarity | 0.6758 | NPC473181 |
Molecular Weight   | 363.07 |
ALogP   | -0.3304 |
MLogP   | 3.22 |
XLogP   | 5.761 |
HDA   | 1 |
HBD   | 2 |
Rotatable Bonds   | 6 |
TPSA   | 62.58 |
RO5 Violation   | 1 |