Drug ID:   | NPD180 |
Drug Name:   | |
Molecular Formula:   | C10H11NO3 |
Canonical SMILES:   | CCOC(=O)CC(=O)c1ccccn1 |
Standard InCHI:   | InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3 |
Standard InCHIKey:   | FQHXWZMJALFSJJ-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 | 0.8264 | NPC313823 |
Intermediate Similarity | 0.8086 | NPC41717 |
Intermediate Similarity | 0.8 | NPC302159 |
Intermediate Similarity | 0.7733 | NPC207851 |
Intermediate Similarity | 0.7669 | NPC80681 |
Intermediate Similarity | 0.76 | NPC71236 |
Intermediate Similarity | 0.7597 | NPC472288 |
Intermediate Similarity | 0.7578 | NPC70406 |
Intermediate Similarity | 0.7531 | NPC251391 |
Intermediate Similarity | 0.7529 | NPC46895 |
Intermediate Similarity | 0.7515 | NPC253810 |
Intermediate Similarity | 0.75 | NPC85443 |
Intermediate Similarity | 0.75 | NPC70949 |
Intermediate Similarity | 0.7468 | NPC291517 |
Intermediate Similarity | 0.7457 | NPC61011 |
Intermediate Similarity | 0.7451 | NPC322488 |
Intermediate Similarity | 0.7444 | NPC135950 |
Intermediate Similarity | 0.7443 | NPC118084 |
Intermediate Similarity | 0.7423 | NPC107287 |
Intermediate Similarity | 0.7416 | NPC469489 |
Intermediate Similarity | 0.7412 | NPC249614 |
Intermediate Similarity | 0.7407 | NPC313889 |
Intermediate Similarity | 0.7391 | NPC105811 |
Intermediate Similarity | 0.7386 | NPC282103 |
Intermediate Similarity | 0.7378 | NPC209362 |
Intermediate Similarity | 0.7377 | NPC103361 |
Intermediate Similarity | 0.7375 | NPC467188 |
Intermediate Similarity | 0.7362 | NPC217021 |
Intermediate Similarity | 0.7362 | NPC470679 |
Intermediate Similarity | 0.7356 | NPC73994 |
Intermediate Similarity | 0.7346 | NPC123906 |
Intermediate Similarity | 0.7341 | NPC83774 |
Intermediate Similarity | 0.7321 | NPC265100 |
Intermediate Similarity | 0.7308 | NPC109922 |
Intermediate Similarity | 0.7308 | NPC328029 |
Intermediate Similarity | 0.7301 | NPC473878 |
Intermediate Similarity | 0.7283 | NPC123395 |
Intermediate Similarity | 0.7262 | NPC242116 |
Intermediate Similarity | 0.7261 | NPC114310 |
Intermediate Similarity | 0.7244 | NPC23215 |
Intermediate Similarity | 0.7241 | NPC157583 |
Intermediate Similarity | 0.7211 | NPC472070 |
Intermediate Similarity | 0.7209 | NPC273532 |
Intermediate Similarity | 0.7193 | NPC470894 |
Intermediate Similarity | 0.719 | NPC471589 |
Intermediate Similarity | 0.7189 | NPC81535 |
Intermediate Similarity | 0.7186 | NPC213914 |
Intermediate Similarity | 0.7182 | NPC138370 |
Intermediate Similarity | 0.7178 | NPC112741 |
Intermediate Similarity | 0.7168 | NPC477976 |
Intermediate Similarity | 0.7159 | NPC471997 |
Intermediate Similarity | 0.7152 | NPC472260 |
Intermediate Similarity | 0.7143 | NPC237188 |
Intermediate Similarity | 0.7135 | NPC285923 |
Intermediate Similarity | 0.7135 | NPC114637 |
Intermediate Similarity | 0.7101 | NPC470680 |
Intermediate Similarity | 0.7101 | NPC100104 |
Intermediate Similarity | 0.7099 | NPC159630 |
Intermediate Similarity | 0.7099 | NPC230085 |
Intermediate Similarity | 0.7098 | NPC318299 |
Intermediate Similarity | 0.7088 | NPC114974 |
Intermediate Similarity | 0.7081 | NPC106824 |
Intermediate Similarity | 0.7073 | NPC100726 |
Intermediate Similarity | 0.7072 | NPC209917 |
Intermediate Similarity | 0.7066 | NPC229055 |
Intermediate Similarity | 0.7066 | NPC263455 |
Intermediate Similarity | 0.7065 | NPC202812 |
Intermediate Similarity | 0.7062 | NPC317752 |
Intermediate Similarity | 0.7044 | NPC65408 |
Intermediate Similarity | 0.7042 | NPC231655 |
Intermediate Similarity | 0.7041 | NPC474492 |
Intermediate Similarity | 0.7033 | NPC154339 |
Intermediate Similarity | 0.7029 | NPC139763 |
Intermediate Similarity | 0.7024 | NPC74357 |
Intermediate Similarity | 0.7011 | NPC267343 |
Intermediate Similarity | 0.7006 | NPC312860 |
Intermediate Similarity | 0.7005 | NPC474767 |
Intermediate Similarity | 0.7005 | NPC284338 |
Intermediate Similarity | 0.7 | NPC327592 |
Intermediate Similarity | 0.7 | NPC322644 |
Intermediate Similarity | 0.7 | NPC295158 |
Remote Similarity | 0.6989 | NPC84347 |
Remote Similarity | 0.6984 | NPC328596 |
Remote Similarity | 0.6984 | NPC328318 |
Remote Similarity | 0.6981 | NPC64661 |
Remote Similarity | 0.6981 | NPC14448 |
Remote Similarity | 0.6981 | NPC138596 |
Remote Similarity | 0.6981 | NPC200397 |
Remote Similarity | 0.6981 | NPC167200 |
Remote Similarity | 0.6981 | NPC98156 |
Remote Similarity | 0.6981 | NPC195704 |
Remote Similarity | 0.6981 | NPC292434 |
Remote Similarity | 0.6968 | NPC470279 |
Remote Similarity | 0.6964 | NPC33229 |
Remote Similarity | 0.6963 | NPC472065 |
Remote Similarity | 0.6963 | NPC317373 |
Remote Similarity | 0.6951 | NPC167400 |
Remote Similarity | 0.6935 | NPC77061 |
Remote Similarity | 0.6932 | NPC469529 |
Remote Similarity | 0.6927 | NPC193238 |
Remote Similarity | 0.6927 | NPC191415 |
Remote Similarity | 0.6923 | NPC118940 |
Remote Similarity | 0.6923 | NPC278434 |
Remote Similarity | 0.691 | NPC55772 |
Remote Similarity | 0.6907 | NPC123839 |
Remote Similarity | 0.6903 | NPC471311 |
Remote Similarity | 0.6903 | NPC471313 |
Remote Similarity | 0.6895 | NPC472062 |
Remote Similarity | 0.6895 | NPC57398 |
Remote Similarity | 0.6895 | NPC472069 |
Remote Similarity | 0.6895 | NPC472063 |
Remote Similarity | 0.6895 | NPC143977 |
Remote Similarity | 0.6889 | NPC159125 |
Remote Similarity | 0.6886 | NPC471655 |
Remote Similarity | 0.6885 | NPC255909 |
Remote Similarity | 0.6879 | NPC42372 |
Remote Similarity | 0.6879 | NPC477975 |
Remote Similarity | 0.6878 | NPC121327 |
Remote Similarity | 0.6875 | NPC472064 |
Remote Similarity | 0.6865 | NPC216550 |
Remote Similarity | 0.6854 | NPC145885 |
Remote Similarity | 0.6854 | NPC84827 |
Remote Similarity | 0.6854 | NPC14113 |
Remote Similarity | 0.6854 | NPC111275 |
Remote Similarity | 0.6845 | NPC472116 |
Remote Similarity | 0.6836 | NPC293216 |
Remote Similarity | 0.6835 | NPC256893 |
Remote Similarity | 0.6835 | NPC324611 |
Remote Similarity | 0.6828 | NPC269886 |
Remote Similarity | 0.6828 | NPC81802 |
Remote Similarity | 0.6828 | NPC472210 |
Remote Similarity | 0.6828 | NPC472295 |
Remote Similarity | 0.6828 | NPC247735 |
Remote Similarity | 0.6816 | NPC126709 |
Remote Similarity | 0.6816 | NPC248041 |
Remote Similarity | 0.6809 | NPC90229 |
Remote Similarity | 0.6804 | NPC266249 |
Remote Similarity | 0.68 | NPC78020 |
Remote Similarity | 0.6798 | NPC267885 |
Remote Similarity | 0.6796 | NPC102755 |
Remote Similarity | 0.6793 | NPC103119 |
Remote Similarity | 0.6792 | NPC330326 |
Remote Similarity | 0.6784 | NPC116573 |
Remote Similarity | 0.6782 | NPC233380 |
Remote Similarity | 0.6778 | NPC477042 |
Remote Similarity | 0.6778 | NPC317010 |
Remote Similarity | 0.6776 | NPC194040 |
Remote Similarity | 0.6774 | NPC472292 |
Remote Similarity | 0.6772 | NPC477041 |
Remote Similarity | 0.6772 | NPC477044 |
Remote Similarity | 0.6768 | NPC101130 |
Remote Similarity | 0.6768 | NPC58268 |
Remote Similarity | 0.6768 | NPC114033 |
Remote Similarity | 0.6768 | NPC129412 |
Remote Similarity | 0.676 | NPC284775 |
Remote Similarity | 0.6758 | NPC477003 |
Remote Similarity | 0.6755 | NPC472293 |
Remote Similarity | 0.6746 | NPC284348 |
Remote Similarity | 0.6742 | NPC203468 |
Remote Similarity | 0.6742 | NPC110500 |
Remote Similarity | 0.6742 | NPC149155 |
Remote Similarity | 0.674 | NPC71037 |
Remote Similarity | 0.6737 | NPC472297 |
Remote Similarity | 0.6737 | NPC472296 |
Remote Similarity | 0.6722 | NPC283219 |
Remote Similarity | 0.6717 | NPC236668 |
Remote Similarity | 0.6707 | NPC12831 |
Remote Similarity | 0.6707 | NPC244087 |
Remote Similarity | 0.6707 | NPC97230 |
Remote Similarity | 0.6707 | NPC48171 |
Remote Similarity | 0.6707 | NPC77582 |
Remote Similarity | 0.6707 | NPC129753 |
Remote Similarity | 0.6707 | NPC169308 |
Remote Similarity | 0.6707 | NPC3698 |
Remote Similarity | 0.6707 | NPC209281 |
Remote Similarity | 0.6707 | NPC205604 |
Remote Similarity | 0.6707 | NPC74928 |
Remote Similarity | 0.6707 | NPC302717 |
Remote Similarity | 0.6707 | NPC286529 |
Remote Similarity | 0.6707 | NPC59839 |
Remote Similarity | 0.6705 | NPC473706 |
Remote Similarity | 0.6703 | NPC469358 |
Remote Similarity | 0.6702 | NPC157828 |
Remote Similarity | 0.6702 | NPC195239 |
Remote Similarity | 0.6701 | NPC82053 |
Remote Similarity | 0.6685 | NPC315555 |
Remote Similarity | 0.6685 | NPC62749 |
Remote Similarity | 0.6685 | NPC235684 |
Remote Similarity | 0.6684 | NPC474916 |
Remote Similarity | 0.6684 | NPC149708 |
Remote Similarity | 0.6683 | NPC146976 |
Remote Similarity | 0.6667 | NPC257142 |
Remote Similarity | 0.6667 | NPC83111 |
Remote Similarity | 0.6667 | NPC472119 |
Remote Similarity | 0.6667 | NPC11445 |
Remote Similarity | 0.6667 | NPC292361 |
Remote Similarity | 0.6667 | NPC29702 |
Remote Similarity | 0.6667 | NPC75135 |
Remote Similarity | 0.6649 | NPC477045 |
Remote Similarity | 0.6649 | NPC160127 |
Molecular Weight   | 193.07 |
ALogP   | 0.0326 |
MLogP   | 2.12 |
XLogP   | 1.815 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 56.26 |
RO5 Violation   | 0 |