Drug ID:   | NPD224 |
Drug Name:   | Amithiozone |
Molecular Formula:   | C10H12N4OS |
Canonical SMILES:   | SC(=N)N/N=C/c1ccc(cc1)N=C(O)C |
Standard InCHI:   | InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+ |
Standard InCHIKey:   | SRVJKTDHMYAMHA-WUXMJOGZSA-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 | 0.7523 | NPC78154 |
Intermediate Similarity | 0.7364 | NPC92689 |
Intermediate Similarity | 0.7037 | NPC15839 |
Intermediate Similarity | 0.7009 | NPC307456 |
Remote Similarity | 0.6825 | NPC314141 |
Remote Similarity | 0.6748 | NPC37584 |
Remote Similarity | 0.6726 | NPC30445 |
Remote Similarity | 0.6726 | NPC111233 |
Remote Similarity | 0.6694 | NPC178681 |
Remote Similarity | 0.6667 | NPC173991 |
Remote Similarity | 0.6641 | NPC470550 |
Remote Similarity | 0.6641 | NPC205652 |
Remote Similarity | 0.6637 | NPC473031 |
Remote Similarity | 0.6609 | NPC191444 |
Remote Similarity | 0.6591 | NPC317564 |
Remote Similarity | 0.6581 | NPC476483 |
Remote Similarity | 0.656 | NPC164802 |
Remote Similarity | 0.6557 | NPC474430 |
Remote Similarity | 0.6522 | NPC176858 |
Remote Similarity | 0.6522 | NPC470877 |
Remote Similarity | 0.6491 | NPC262295 |
Remote Similarity | 0.6489 | NPC313449 |
Remote Similarity | 0.6471 | NPC474926 |
Remote Similarity | 0.6466 | NPC74936 |
Remote Similarity | 0.6466 | NPC159178 |
Remote Similarity | 0.6466 | NPC78041 |
Remote Similarity | 0.6466 | NPC141139 |
Remote Similarity | 0.6466 | NPC121872 |
Remote Similarity | 0.6466 | NPC209764 |
Remote Similarity | 0.6466 | NPC471307 |
Remote Similarity | 0.6444 | NPC283130 |
Remote Similarity | 0.6444 | NPC328683 |
Remote Similarity | 0.6429 | NPC476687 |
Remote Similarity | 0.6429 | NPC476685 |
Remote Similarity | 0.6429 | NPC476689 |
Remote Similarity | 0.6377 | NPC476950 |
Remote Similarity | 0.6333 | NPC471319 |
Remote Similarity | 0.6333 | NPC471320 |
Remote Similarity | 0.6308 | NPC187036 |
Remote Similarity | 0.6308 | NPC296163 |
Remote Similarity | 0.6303 | NPC471309 |
Remote Similarity | 0.6299 | NPC302790 |
Remote Similarity | 0.6288 | NPC147957 |
Remote Similarity | 0.6286 | NPC472245 |
Remote Similarity | 0.625 | NPC108339 |
Remote Similarity | 0.6214 | NPC150863 |
Remote Similarity | 0.6212 | NPC288232 |
Remote Similarity | 0.6207 | NPC471638 |
Remote Similarity | 0.6204 | NPC66775 |
Remote Similarity | 0.6204 | NPC299134 |
Remote Similarity | 0.62 | NPC259678 |
Remote Similarity | 0.6198 | NPC25565 |
Remote Similarity | 0.6197 | NPC282398 |
Remote Similarity | 0.6174 | NPC190296 |
Remote Similarity | 0.617 | NPC226662 |
Remote Similarity | 0.6167 | NPC469330 |
Remote Similarity | 0.6154 | NPC12429 |
Remote Similarity | 0.6154 | NPC471322 |
Remote Similarity | 0.6148 | NPC475439 |
Remote Similarity | 0.6148 | NPC473501 |
Remote Similarity | 0.6134 | NPC245259 |
Remote Similarity | 0.6134 | NPC226438 |
Remote Similarity | 0.6121 | NPC203076 |
Remote Similarity | 0.6119 | NPC192209 |
Remote Similarity | 0.6118 | NPC471957 |
Remote Similarity | 0.6116 | NPC303045 |
Remote Similarity | 0.6116 | NPC161972 |
Remote Similarity | 0.6111 | NPC275467 |
Remote Similarity | 0.6099 | NPC101372 |
Remote Similarity | 0.6096 | NPC287358 |
Remote Similarity | 0.6093 | NPC314372 |
Remote Similarity | 0.6083 | NPC108800 |
Remote Similarity | 0.6081 | NPC2823 |
Remote Similarity | 0.608 | NPC291610 |
Remote Similarity | 0.6056 | NPC314431 |
Remote Similarity | 0.6056 | NPC280807 |
Remote Similarity | 0.6053 | NPC14326 |
Remote Similarity | 0.605 | NPC316108 |
Remote Similarity | 0.6042 | NPC256893 |
Remote Similarity | 0.6036 | NPC98269 |
Remote Similarity | 0.6036 | NPC325662 |
Remote Similarity | 0.6027 | NPC475707 |
Remote Similarity | 0.6017 | NPC297532 |
Remote Similarity | 0.6 | NPC314287 |
Remote Similarity | 0.6 | NPC184437 |
Remote Similarity | 0.6 | NPC478040 |
Remote Similarity | 0.6 | NPC301874 |
Remote Similarity | 0.6 | NPC205946 |
Remote Similarity | 0.5987 | NPC159856 |
Remote Similarity | 0.5986 | NPC471313 |
Remote Similarity | 0.5986 | NPC471311 |
Remote Similarity | 0.5984 | NPC38262 |
Remote Similarity | 0.5982 | NPC12857 |
Remote Similarity | 0.5973 | NPC316202 |
Remote Similarity | 0.597 | NPC317031 |
Remote Similarity | 0.5969 | NPC172170 |
Remote Similarity | 0.5963 | NPC244738 |
Remote Similarity | 0.5957 | NPC322433 |
Remote Similarity | 0.5956 | NPC264580 |
Remote Similarity | 0.5946 | NPC181527 |
Remote Similarity | 0.5946 | NPC125746 |
Remote Similarity | 0.5944 | NPC89490 |
Remote Similarity | 0.5942 | NPC215519 |
Remote Similarity | 0.594 | NPC57051 |
Remote Similarity | 0.5935 | NPC317400 |
Remote Similarity | 0.5935 | NPC105818 |
Remote Similarity | 0.5935 | NPC24678 |
Remote Similarity | 0.5931 | NPC101165 |
Remote Similarity | 0.5931 | NPC324611 |
Remote Similarity | 0.5929 | NPC290094 |
Remote Similarity | 0.5926 | NPC271732 |
Remote Similarity | 0.5926 | NPC219246 |
Remote Similarity | 0.5915 | NPC478079 |
Remote Similarity | 0.5909 | NPC27802 |
Remote Similarity | 0.5906 | NPC471317 |
Remote Similarity | 0.5906 | NPC471310 |
Remote Similarity | 0.5906 | NPC472243 |
Remote Similarity | 0.5906 | NPC202613 |
Remote Similarity | 0.5903 | NPC475090 |
Remote Similarity | 0.5903 | NPC475105 |
Remote Similarity | 0.5903 | NPC329896 |
Remote Similarity | 0.5899 | NPC265605 |
Remote Similarity | 0.5899 | NPC48564 |
Remote Similarity | 0.5899 | NPC182570 |
Remote Similarity | 0.5897 | NPC216713 |
Remote Similarity | 0.5897 | NPC3210 |
Remote Similarity | 0.5891 | NPC327481 |
Remote Similarity | 0.5887 | NPC311242 |
Remote Similarity | 0.5887 | NPC27740 |
Remote Similarity | 0.5882 | NPC285731 |
Remote Similarity | 0.5882 | NPC262393 |
Remote Similarity | 0.5882 | NPC148140 |
Remote Similarity | 0.5878 | NPC470127 |
Remote Similarity | 0.5872 | NPC121708 |
Remote Similarity | 0.5872 | NPC125144 |
Remote Similarity | 0.5862 | NPC40364 |
Remote Similarity | 0.5862 | NPC22079 |
Remote Similarity | 0.5862 | NPC134825 |
Remote Similarity | 0.5862 | NPC207428 |
Remote Similarity | 0.586 | NPC259644 |
Remote Similarity | 0.586 | NPC469765 |
Remote Similarity | 0.586 | NPC469786 |
Remote Similarity | 0.586 | NPC25008 |
Remote Similarity | 0.586 | NPC73952 |
Remote Similarity | 0.586 | NPC469763 |
Remote Similarity | 0.586 | NPC469760 |
Remote Similarity | 0.5859 | NPC194390 |
Remote Similarity | 0.5859 | NPC224610 |
Remote Similarity | 0.5859 | NPC113326 |
Remote Similarity | 0.5859 | NPC88267 |
Remote Similarity | 0.5857 | NPC41174 |
Remote Similarity | 0.5856 | NPC98976 |
Remote Similarity | 0.5854 | NPC58674 |
Remote Similarity | 0.5846 | NPC434 |
Remote Similarity | 0.5845 | NPC146373 |
Remote Similarity | 0.5845 | NPC245244 |
Remote Similarity | 0.5845 | NPC166424 |
Remote Similarity | 0.5844 | NPC143872 |
Remote Similarity | 0.5839 | NPC84911 |
Remote Similarity | 0.5839 | NPC251722 |
Remote Similarity | 0.5839 | NPC81561 |
Remote Similarity | 0.5839 | NPC314102 |
Remote Similarity | 0.5828 | NPC49217 |
Remote Similarity | 0.5828 | NPC472241 |
Remote Similarity | 0.5823 | NPC70922 |
Remote Similarity | 0.5823 | NPC211572 |
Remote Similarity | 0.5823 | NPC80597 |
Remote Similarity | 0.5823 | NPC212376 |
Remote Similarity | 0.5823 | NPC75540 |
Remote Similarity | 0.5823 | NPC38736 |
Remote Similarity | 0.5816 | NPC317758 |
Remote Similarity | 0.5816 | NPC46358 |
Remote Similarity | 0.5811 | NPC159589 |
Remote Similarity | 0.5806 | NPC321617 |
Remote Similarity | 0.5804 | NPC202957 |
Remote Similarity | 0.5804 | NPC271642 |
Remote Similarity | 0.5804 | NPC169625 |
Remote Similarity | 0.58 | NPC243162 |
Remote Similarity | 0.5798 | NPC198747 |
Remote Similarity | 0.5797 | NPC226143 |
Remote Similarity | 0.5797 | NPC91958 |
Remote Similarity | 0.5789 | NPC275410 |
Remote Similarity | 0.5786 | NPC84317 |
Remote Similarity | 0.5785 | NPC476160 |
Remote Similarity | 0.5785 | NPC172128 |
Remote Similarity | 0.5781 | NPC164859 |
Remote Similarity | 0.5775 | NPC122718 |
Remote Similarity | 0.5775 | NPC325013 |
Remote Similarity | 0.5772 | NPC322040 |
Remote Similarity | 0.5772 | NPC96102 |
Remote Similarity | 0.5772 | NPC29886 |
Remote Similarity | 0.5772 | NPC261195 |
Remote Similarity | 0.5772 | NPC7067 |
Remote Similarity | 0.5769 | NPC124005 |
Remote Similarity | 0.5769 | NPC37548 |
Remote Similarity | 0.5766 | NPC113000 |
Remote Similarity | 0.5766 | NPC122327 |
Remote Similarity | 0.5766 | NPC112609 |
Remote Similarity | 0.5764 | NPC278451 |
Remote Similarity | 0.5762 | NPC73767 |
TTD   | DIB010752 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 236.07 |
ALogP   | 0.4469 |
MLogP   | 1.9 |
XLogP   | 3.765 |
HDA   | 5 |
HBD   | 3 |
Rotatable Bonds   | 7 |
TPSA   | 119.63 |
RO5 Violation   | 0 |