Drug ID:   | NPD1503 |
Drug Name:   | |
Molecular Formula:   | C15H10ClNO2 |
Canonical SMILES:   | Clc1ccc2c(c1)nc(c(c2O)c1ccccc1)O |
Standard InCHI:   | InChI=1S/C15H10ClNO2/c16-10-6-7-11-12(8-10)17-15(19)13(14(11)18)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19) |
Standard InCHIKey:   | RDXQSWLUXKUQSI-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 | 0.8266 | NPC288943 |
Intermediate Similarity | 0.825 | NPC60553 |
Intermediate Similarity | 0.8114 | NPC283152 |
Intermediate Similarity | 0.7901 | NPC280853 |
Intermediate Similarity | 0.7889 | NPC62069 |
Intermediate Similarity | 0.7857 | NPC66083 |
Intermediate Similarity | 0.7853 | NPC245657 |
Intermediate Similarity | 0.7853 | NPC285016 |
Intermediate Similarity | 0.7841 | NPC474409 |
Intermediate Similarity | 0.784 | NPC471596 |
Intermediate Similarity | 0.7778 | NPC26850 |
Intermediate Similarity | 0.7747 | NPC42591 |
Intermediate Similarity | 0.7722 | NPC478032 |
Intermediate Similarity | 0.7711 | NPC471598 |
Intermediate Similarity | 0.767 | NPC44161 |
Intermediate Similarity | 0.7622 | NPC471594 |
Intermediate Similarity | 0.7619 | NPC161292 |
Intermediate Similarity | 0.7602 | NPC26872 |
Intermediate Similarity | 0.7582 | NPC144114 |
Intermediate Similarity | 0.7542 | NPC208060 |
Intermediate Similarity | 0.7541 | NPC212535 |
Intermediate Similarity | 0.75 | NPC303225 |
Intermediate Similarity | 0.75 | NPC190007 |
Intermediate Similarity | 0.75 | NPC159319 |
Intermediate Similarity | 0.75 | NPC473057 |
Intermediate Similarity | 0.7473 | NPC72980 |
Intermediate Similarity | 0.7473 | NPC88363 |
Intermediate Similarity | 0.7459 | NPC94943 |
Intermediate Similarity | 0.7443 | NPC315214 |
Intermediate Similarity | 0.7443 | NPC47298 |
Intermediate Similarity | 0.7442 | NPC153769 |
Intermediate Similarity | 0.7419 | NPC314573 |
Intermediate Similarity | 0.7407 | NPC141915 |
Intermediate Similarity | 0.7407 | NPC114335 |
Intermediate Similarity | 0.7407 | NPC280964 |
Intermediate Similarity | 0.7401 | NPC32028 |
Intermediate Similarity | 0.7391 | NPC477891 |
Intermediate Similarity | 0.7351 | NPC133306 |
Intermediate Similarity | 0.7345 | NPC177404 |
Intermediate Similarity | 0.7345 | NPC224632 |
Intermediate Similarity | 0.7344 | NPC474188 |
Intermediate Similarity | 0.7333 | NPC126481 |
Intermediate Similarity | 0.7326 | NPC288445 |
Intermediate Similarity | 0.7312 | NPC320394 |
Intermediate Similarity | 0.7303 | NPC97367 |
Intermediate Similarity | 0.7299 | NPC36168 |
Intermediate Similarity | 0.7278 | NPC278874 |
Intermediate Similarity | 0.7277 | NPC279401 |
Intermediate Similarity | 0.7277 | NPC79293 |
Intermediate Similarity | 0.7238 | NPC473764 |
Intermediate Similarity | 0.7238 | NPC314940 |
Intermediate Similarity | 0.7234 | NPC194040 |
Intermediate Similarity | 0.7234 | NPC61350 |
Intermediate Similarity | 0.7232 | NPC84508 |
Intermediate Similarity | 0.7222 | NPC304183 |
Intermediate Similarity | 0.7213 | NPC312872 |
Intermediate Similarity | 0.7198 | NPC476686 |
Intermediate Similarity | 0.7198 | NPC476688 |
Intermediate Similarity | 0.7198 | NPC105758 |
Intermediate Similarity | 0.7196 | NPC46580 |
Intermediate Similarity | 0.7173 | NPC469390 |
Intermediate Similarity | 0.7167 | NPC471178 |
Intermediate Similarity | 0.7165 | NPC243834 |
Intermediate Similarity | 0.7165 | NPC70956 |
Intermediate Similarity | 0.7165 | NPC153042 |
Intermediate Similarity | 0.7158 | NPC259545 |
Intermediate Similarity | 0.7158 | NPC471294 |
Intermediate Similarity | 0.7158 | NPC128751 |
Intermediate Similarity | 0.7158 | NPC246700 |
Intermediate Similarity | 0.7151 | NPC79911 |
Intermediate Similarity | 0.7135 | NPC324149 |
Intermediate Similarity | 0.7127 | NPC108469 |
Intermediate Similarity | 0.7121 | NPC200836 |
Intermediate Similarity | 0.7121 | NPC53144 |
Intermediate Similarity | 0.712 | NPC469497 |
Intermediate Similarity | 0.712 | NPC106833 |
Intermediate Similarity | 0.7119 | NPC477889 |
Intermediate Similarity | 0.7119 | NPC141353 |
Intermediate Similarity | 0.7095 | NPC120798 |
Intermediate Similarity | 0.7071 | NPC291535 |
Intermediate Similarity | 0.7071 | NPC475085 |
Intermediate Similarity | 0.7071 | NPC475112 |
Intermediate Similarity | 0.7065 | NPC470931 |
Intermediate Similarity | 0.7056 | NPC471177 |
Intermediate Similarity | 0.7056 | NPC59779 |
Intermediate Similarity | 0.7056 | NPC124542 |
Intermediate Similarity | 0.7056 | NPC249040 |
Intermediate Similarity | 0.7053 | NPC204385 |
Intermediate Similarity | 0.7049 | NPC164664 |
Intermediate Similarity | 0.7047 | NPC99666 |
Intermediate Similarity | 0.7043 | NPC96890 |
Intermediate Similarity | 0.7035 | NPC477890 |
Intermediate Similarity | 0.7035 | NPC223427 |
Intermediate Similarity | 0.7031 | NPC471593 |
Intermediate Similarity | 0.7021 | NPC206201 |
Intermediate Similarity | 0.7021 | NPC314394 |
Intermediate Similarity | 0.7017 | NPC118511 |
Intermediate Similarity | 0.7016 | NPC206186 |
Intermediate Similarity | 0.7011 | NPC252590 |
Intermediate Similarity | 0.701 | NPC329541 |
Intermediate Similarity | 0.7005 | NPC232340 |
Intermediate Similarity | 0.7005 | NPC280714 |
Intermediate Similarity | 0.7 | NPC137929 |
Intermediate Similarity | 0.7 | NPC164374 |
Intermediate Similarity | 0.7 | NPC314002 |
Remote Similarity | 0.6985 | NPC211813 |
Remote Similarity | 0.6985 | NPC135887 |
Remote Similarity | 0.6985 | NPC199277 |
Remote Similarity | 0.6985 | NPC66815 |
Remote Similarity | 0.6984 | NPC220765 |
Remote Similarity | 0.6981 | NPC54102 |
Remote Similarity | 0.6981 | NPC162689 |
Remote Similarity | 0.6974 | NPC276517 |
Remote Similarity | 0.6963 | NPC300114 |
Remote Similarity | 0.6954 | NPC306376 |
Remote Similarity | 0.6954 | NPC192315 |
Remote Similarity | 0.695 | NPC469440 |
Remote Similarity | 0.6947 | NPC204717 |
Remote Similarity | 0.6943 | NPC144381 |
Remote Similarity | 0.6939 | NPC472193 |
Remote Similarity | 0.6939 | NPC242209 |
Remote Similarity | 0.6927 | NPC254762 |
Remote Similarity | 0.6919 | NPC158129 |
Remote Similarity | 0.6919 | NPC476167 |
Remote Similarity | 0.6915 | NPC470500 |
Remote Similarity | 0.6915 | NPC475070 |
Remote Similarity | 0.6912 | NPC5145 |
Remote Similarity | 0.6912 | NPC85273 |
Remote Similarity | 0.6906 | NPC25899 |
Remote Similarity | 0.6904 | NPC224928 |
Remote Similarity | 0.6904 | NPC77555 |
Remote Similarity | 0.6887 | NPC473449 |
Remote Similarity | 0.6881 | NPC476106 |
Remote Similarity | 0.6878 | NPC222592 |
Remote Similarity | 0.6878 | NPC168486 |
Remote Similarity | 0.6875 | NPC171171 |
Remote Similarity | 0.6868 | NPC48192 |
Remote Similarity | 0.6862 | NPC184964 |
Remote Similarity | 0.686 | NPC237740 |
Remote Similarity | 0.6859 | NPC84478 |
Remote Similarity | 0.6847 | NPC193777 |
Remote Similarity | 0.6845 | NPC95898 |
Remote Similarity | 0.6839 | NPC470404 |
Remote Similarity | 0.6839 | NPC470394 |
Remote Similarity | 0.6839 | NPC470403 |
Remote Similarity | 0.6834 | NPC128823 |
Remote Similarity | 0.6814 | NPC39679 |
Remote Similarity | 0.6814 | NPC477111 |
Remote Similarity | 0.6814 | NPC86834 |
Remote Similarity | 0.6814 | NPC210828 |
Remote Similarity | 0.6813 | NPC322644 |
Remote Similarity | 0.6813 | NPC131718 |
Remote Similarity | 0.681 | NPC148409 |
Remote Similarity | 0.681 | NPC193267 |
Remote Similarity | 0.681 | NPC213530 |
Remote Similarity | 0.6809 | NPC203754 |
Remote Similarity | 0.6809 | NPC150048 |
Remote Similarity | 0.6804 | NPC183805 |
Remote Similarity | 0.6804 | NPC230805 |
Remote Similarity | 0.6802 | NPC205934 |
Remote Similarity | 0.6802 | NPC131017 |
Remote Similarity | 0.6802 | NPC43787 |
Remote Similarity | 0.68 | NPC11017 |
Remote Similarity | 0.6798 | NPC475841 |
Remote Similarity | 0.6798 | NPC477113 |
Remote Similarity | 0.6798 | NPC474145 |
Remote Similarity | 0.6798 | NPC472111 |
Remote Similarity | 0.6784 | NPC72211 |
Remote Similarity | 0.6782 | NPC476098 |
Remote Similarity | 0.678 | NPC469589 |
Remote Similarity | 0.678 | NPC476116 |
Remote Similarity | 0.6776 | NPC200888 |
Remote Similarity | 0.6772 | NPC293472 |
Remote Similarity | 0.6768 | NPC70259 |
Remote Similarity | 0.6763 | NPC112206 |
Remote Similarity | 0.6763 | NPC294620 |
Remote Similarity | 0.6763 | NPC48353 |
Remote Similarity | 0.6763 | NPC202605 |
Remote Similarity | 0.6761 | NPC470395 |
Remote Similarity | 0.6754 | NPC192270 |
Remote Similarity | 0.6751 | NPC230403 |
Remote Similarity | 0.675 | NPC148140 |
Remote Similarity | 0.675 | NPC476175 |
Remote Similarity | 0.6748 | NPC303951 |
Remote Similarity | 0.6746 | NPC3207 |
Remote Similarity | 0.6746 | NPC477110 |
Remote Similarity | 0.6746 | NPC330009 |
Remote Similarity | 0.6746 | NPC183407 |
Remote Similarity | 0.6739 | NPC102423 |
Remote Similarity | 0.6734 | NPC90229 |
Remote Similarity | 0.6732 | NPC18348 |
Remote Similarity | 0.6732 | NPC475910 |
Remote Similarity | 0.6727 | NPC177056 |
Remote Similarity | 0.6727 | NPC122718 |
Remote Similarity | 0.672 | NPC288785 |
Remote Similarity | 0.672 | NPC134586 |
Remote Similarity | 0.6719 | NPC176127 |
Remote Similarity | 0.6718 | NPC242928 |
Remote Similarity | 0.6717 | NPC326634 |
Remote Similarity | 0.6716 | NPC329747 |
Molecular Weight   | 271.04 |
ALogP   | -0.1763 |
MLogP   | 2.67 |
XLogP   | 4.506 |
HDA   | 1 |
HBD   | 2 |
Rotatable Bonds   | 4 |
TPSA   | 53.35 |
RO5 Violation   | 0 |