Drug ID:   | NPD648 |
Drug Name:   | |
Molecular Formula:   | C11H8ClNO4 |
Canonical SMILES:   | COC(=O)c1c(O)nc2c(c1O)ccc(c2)Cl |
Standard InCHI:   | InChI=1S/C11H8ClNO4/c1-17-11(16)8-9(14)6-3-2-5(12)4-7(6)13-10(8)15/h2-4H,1H3,(H2,13,14,15) |
Standard InCHIKey:   | GEUWRNTWGHPTPU-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 | 0.8392 | NPC317572 |
Intermediate Similarity | 0.8 | NPC194040 |
Intermediate Similarity | 0.7833 | NPC280714 |
Intermediate Similarity | 0.7783 | NPC3207 |
Intermediate Similarity | 0.772 | NPC303225 |
Intermediate Similarity | 0.7639 | NPC174760 |
Intermediate Similarity | 0.7619 | NPC39679 |
Intermediate Similarity | 0.7608 | NPC315638 |
Intermediate Similarity | 0.7608 | NPC313796 |
Intermediate Similarity | 0.7608 | NPC314855 |
Intermediate Similarity | 0.7608 | NPC313345 |
Intermediate Similarity | 0.7586 | NPC230403 |
Intermediate Similarity | 0.7571 | NPC314297 |
Intermediate Similarity | 0.7571 | NPC315545 |
Intermediate Similarity | 0.7551 | NPC283152 |
Intermediate Similarity | 0.7538 | NPC320394 |
Intermediate Similarity | 0.7538 | NPC62069 |
Intermediate Similarity | 0.7512 | NPC220337 |
Intermediate Similarity | 0.75 | NPC288943 |
Intermediate Similarity | 0.75 | NPC97746 |
Intermediate Similarity | 0.75 | NPC84347 |
Intermediate Similarity | 0.7487 | NPC191310 |
Intermediate Similarity | 0.7476 | NPC314648 |
Intermediate Similarity | 0.7465 | NPC269367 |
Intermediate Similarity | 0.7465 | NPC314834 |
Intermediate Similarity | 0.743 | NPC87413 |
Intermediate Similarity | 0.7419 | NPC169402 |
Intermediate Similarity | 0.7407 | NPC116238 |
Intermediate Similarity | 0.7389 | NPC44354 |
Intermediate Similarity | 0.7353 | NPC144381 |
Intermediate Similarity | 0.734 | NPC206186 |
Intermediate Similarity | 0.7327 | NPC16066 |
Intermediate Similarity | 0.7308 | NPC90229 |
Intermediate Similarity | 0.7306 | NPC247803 |
Intermediate Similarity | 0.7302 | NPC309845 |
Intermediate Similarity | 0.7282 | NPC56170 |
Intermediate Similarity | 0.7273 | NPC298436 |
Intermediate Similarity | 0.7264 | NPC134848 |
Intermediate Similarity | 0.7257 | NPC300114 |
Intermediate Similarity | 0.7255 | NPC66083 |
Intermediate Similarity | 0.7248 | NPC118228 |
Intermediate Similarity | 0.7243 | NPC321428 |
Intermediate Similarity | 0.7243 | NPC4687 |
Intermediate Similarity | 0.7241 | NPC42591 |
Intermediate Similarity | 0.724 | NPC150239 |
Intermediate Similarity | 0.7222 | NPC303951 |
Intermediate Similarity | 0.722 | NPC205372 |
Intermediate Similarity | 0.7209 | NPC210828 |
Intermediate Similarity | 0.7209 | NPC86834 |
Intermediate Similarity | 0.7189 | NPC23294 |
Intermediate Similarity | 0.7165 | NPC322644 |
Intermediate Similarity | 0.7163 | NPC193238 |
Intermediate Similarity | 0.7122 | NPC160381 |
Intermediate Similarity | 0.7117 | NPC74360 |
Intermediate Similarity | 0.7116 | NPC300156 |
Intermediate Similarity | 0.7109 | NPC306376 |
Intermediate Similarity | 0.7083 | NPC26872 |
Intermediate Similarity | 0.7079 | NPC164340 |
Intermediate Similarity | 0.7079 | NPC256268 |
Intermediate Similarity | 0.7078 | NPC310211 |
Intermediate Similarity | 0.7078 | NPC308137 |
Intermediate Similarity | 0.7072 | NPC184408 |
Intermediate Similarity | 0.7071 | NPC470894 |
Intermediate Similarity | 0.707 | NPC132539 |
Intermediate Similarity | 0.7062 | NPC116573 |
Intermediate Similarity | 0.7059 | NPC243058 |
Intermediate Similarity | 0.7059 | NPC60553 |
Intermediate Similarity | 0.7048 | NPC276517 |
Intermediate Similarity | 0.7045 | NPC89508 |
Intermediate Similarity | 0.7039 | NPC90415 |
Intermediate Similarity | 0.7032 | NPC146418 |
Intermediate Similarity | 0.7031 | NPC119006 |
Intermediate Similarity | 0.703 | NPC219848 |
Intermediate Similarity | 0.7026 | NPC177056 |
Intermediate Similarity | 0.7024 | NPC203635 |
Intermediate Similarity | 0.7009 | NPC469439 |
Intermediate Similarity | 0.7005 | NPC249583 |
Intermediate Similarity | 0.7 | NPC79293 |
Intermediate Similarity | 0.7 | NPC279401 |
Remote Similarity | 0.6996 | NPC174576 |
Remote Similarity | 0.6996 | NPC131885 |
Remote Similarity | 0.6991 | NPC51388 |
Remote Similarity | 0.6991 | NPC314633 |
Remote Similarity | 0.699 | NPC282103 |
Remote Similarity | 0.6983 | NPC473187 |
Remote Similarity | 0.6982 | NPC330009 |
Remote Similarity | 0.6974 | NPC26850 |
Remote Similarity | 0.696 | NPC473449 |
Remote Similarity | 0.6959 | NPC472287 |
Remote Similarity | 0.6959 | NPC472286 |
Remote Similarity | 0.6957 | NPC217176 |
Remote Similarity | 0.6951 | NPC312645 |
Remote Similarity | 0.6946 | NPC134637 |
Remote Similarity | 0.6944 | NPC476098 |
Remote Similarity | 0.6944 | NPC165599 |
Remote Similarity | 0.6933 | NPC128115 |
Remote Similarity | 0.693 | NPC155792 |
Remote Similarity | 0.6927 | NPC53344 |
Remote Similarity | 0.6927 | NPC270918 |
Remote Similarity | 0.6923 | NPC12344 |
Remote Similarity | 0.692 | NPC46561 |
Remote Similarity | 0.6919 | NPC204867 |
Remote Similarity | 0.6916 | NPC94842 |
Remote Similarity | 0.6912 | NPC67659 |
Remote Similarity | 0.691 | NPC35042 |
Remote Similarity | 0.6906 | NPC152768 |
Remote Similarity | 0.6906 | NPC469928 |
Remote Similarity | 0.6906 | NPC148183 |
Remote Similarity | 0.6901 | NPC141454 |
Remote Similarity | 0.6892 | NPC232225 |
Remote Similarity | 0.6892 | NPC39500 |
Remote Similarity | 0.6891 | NPC107123 |
Remote Similarity | 0.689 | NPC183805 |
Remote Similarity | 0.6886 | NPC179287 |
Remote Similarity | 0.6883 | NPC474701 |
Remote Similarity | 0.6881 | NPC45190 |
Remote Similarity | 0.6878 | NPC188400 |
Remote Similarity | 0.6872 | NPC206109 |
Remote Similarity | 0.6872 | NPC114039 |
Remote Similarity | 0.6872 | NPC478141 |
Remote Similarity | 0.6869 | NPC177404 |
Remote Similarity | 0.6867 | NPC182222 |
Remote Similarity | 0.6864 | NPC325297 |
Remote Similarity | 0.6862 | NPC280853 |
Remote Similarity | 0.686 | NPC207851 |
Remote Similarity | 0.6849 | NPC183777 |
Remote Similarity | 0.6849 | NPC244741 |
Remote Similarity | 0.6833 | NPC91868 |
Remote Similarity | 0.6833 | NPC63971 |
Remote Similarity | 0.6832 | NPC249614 |
Remote Similarity | 0.6828 | NPC198503 |
Remote Similarity | 0.6828 | NPC60621 |
Remote Similarity | 0.6826 | NPC140296 |
Remote Similarity | 0.6825 | NPC245657 |
Remote Similarity | 0.6825 | NPC285016 |
Remote Similarity | 0.6825 | NPC138370 |
Remote Similarity | 0.6824 | NPC323198 |
Remote Similarity | 0.6823 | NPC161292 |
Remote Similarity | 0.6822 | NPC168922 |
Remote Similarity | 0.6816 | NPC74562 |
Remote Similarity | 0.6816 | NPC316181 |
Remote Similarity | 0.6816 | NPC250448 |
Remote Similarity | 0.6816 | NPC151781 |
Remote Similarity | 0.681 | NPC221873 |
Remote Similarity | 0.681 | NPC260434 |
Remote Similarity | 0.6809 | NPC6786 |
Remote Similarity | 0.6809 | NPC471596 |
Remote Similarity | 0.6808 | NPC146724 |
Remote Similarity | 0.6807 | NPC160100 |
Remote Similarity | 0.6806 | NPC471598 |
Remote Similarity | 0.6806 | NPC213308 |
Remote Similarity | 0.6805 | NPC165964 |
Remote Similarity | 0.6802 | NPC9894 |
Remote Similarity | 0.6797 | NPC274640 |
Remote Similarity | 0.6796 | NPC298320 |
Remote Similarity | 0.6792 | NPC55493 |
Remote Similarity | 0.6791 | NPC472284 |
Remote Similarity | 0.678 | NPC9475 |
Remote Similarity | 0.6773 | NPC283117 |
Remote Similarity | 0.6771 | NPC244856 |
Remote Similarity | 0.6771 | NPC264176 |
Remote Similarity | 0.6771 | NPC472098 |
Remote Similarity | 0.677 | NPC473041 |
Remote Similarity | 0.6769 | NPC122436 |
Remote Similarity | 0.6761 | NPC45850 |
Remote Similarity | 0.6759 | NPC241024 |
Remote Similarity | 0.6746 | NPC241025 |
Remote Similarity | 0.6743 | NPC57398 |
Remote Similarity | 0.6743 | NPC66815 |
Remote Similarity | 0.6738 | NPC289905 |
Remote Similarity | 0.6738 | NPC316065 |
Remote Similarity | 0.6737 | NPC15801 |
Remote Similarity | 0.6736 | NPC291609 |
Remote Similarity | 0.6726 | NPC294375 |
Remote Similarity | 0.6724 | NPC246381 |
Remote Similarity | 0.6724 | NPC194740 |
Remote Similarity | 0.6714 | NPC280964 |
Remote Similarity | 0.6714 | NPC471546 |
Remote Similarity | 0.6714 | NPC141915 |
Remote Similarity | 0.6714 | NPC114335 |
Remote Similarity | 0.6713 | NPC474916 |
Remote Similarity | 0.6711 | NPC237740 |
Remote Similarity | 0.6711 | NPC472099 |
Remote Similarity | 0.6698 | NPC83111 |
Remote Similarity | 0.6696 | NPC219087 |
Remote Similarity | 0.6696 | NPC96321 |
Remote Similarity | 0.6696 | NPC314270 |
Remote Similarity | 0.6695 | NPC124300 |
Remote Similarity | 0.6684 | NPC153769 |
Remote Similarity | 0.6682 | NPC278434 |
Remote Similarity | 0.6682 | NPC470020 |
Remote Similarity | 0.6681 | NPC478078 |
Remote Similarity | 0.6681 | NPC473105 |
Remote Similarity | 0.6681 | NPC322064 |
Remote Similarity | 0.6681 | NPC74969 |
Remote Similarity | 0.6681 | NPC280799 |
Remote Similarity | 0.6667 | NPC288987 |
Remote Similarity | 0.6667 | NPC21638 |
Remote Similarity | 0.6667 | NPC306644 |
Remote Similarity | 0.6667 | NPC469390 |
Molecular Weight   | 253.01 |
ALogP   | -0.1651 |
MLogP   | 2.01 |
XLogP   | 1.903 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 6 |
TPSA   | 79.65 |
RO5 Violation   | 0 |