Drug ID:   | NPD9471 |
Drug Name:   | |
Molecular Formula:   | C8H6N2O6 |
Canonical SMILES:   | COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O |
Standard InCHI:   | InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3 |
Standard InCHIKey:   | POGCCFLNFPIIGW-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 | 0.8058 | NPC159722 |
Intermediate Similarity | 0.7985 | NPC314278 |
Intermediate Similarity | 0.7836 | NPC226794 |
Intermediate Similarity | 0.7786 | NPC229353 |
Intermediate Similarity | 0.7482 | NPC122235 |
Intermediate Similarity | 0.7292 | NPC173295 |
Intermediate Similarity | 0.726 | NPC319645 |
Intermediate Similarity | 0.7153 | NPC130931 |
Intermediate Similarity | 0.7153 | NPC150323 |
Intermediate Similarity | 0.7143 | NPC205946 |
Intermediate Similarity | 0.702 | NPC190945 |
Remote Similarity | 0.6908 | NPC323798 |
Remote Similarity | 0.6897 | NPC314098 |
Remote Similarity | 0.688 | NPC130398 |
Remote Similarity | 0.6846 | NPC316574 |
Remote Similarity | 0.68 | NPC181527 |
Remote Similarity | 0.68 | NPC315224 |
Remote Similarity | 0.6797 | NPC203925 |
Remote Similarity | 0.6792 | NPC36836 |
Remote Similarity | 0.6792 | NPC63370 |
Remote Similarity | 0.6772 | NPC249912 |
Remote Similarity | 0.6772 | NPC276775 |
Remote Similarity | 0.6772 | NPC92754 |
Remote Similarity | 0.6761 | NPC2982 |
Remote Similarity | 0.6757 | NPC253476 |
Remote Similarity | 0.6755 | NPC314252 |
Remote Similarity | 0.6755 | NPC181526 |
Remote Similarity | 0.6719 | NPC35448 |
Remote Similarity | 0.6719 | NPC78701 |
Remote Similarity | 0.6719 | NPC225060 |
Remote Similarity | 0.6706 | NPC288305 |
Remote Similarity | 0.6667 | NPC314473 |
Remote Similarity | 0.6667 | NPC146351 |
Remote Similarity | 0.6646 | NPC40209 |
Remote Similarity | 0.6641 | NPC474365 |
Remote Similarity | 0.6641 | NPC301943 |
Remote Similarity | 0.6615 | NPC70624 |
Remote Similarity | 0.6591 | NPC31786 |
Remote Similarity | 0.6565 | NPC188895 |
Remote Similarity | 0.6538 | NPC118343 |
Remote Similarity | 0.6538 | NPC325497 |
Remote Similarity | 0.6497 | NPC259678 |
Remote Similarity | 0.6494 | NPC43477 |
Remote Similarity | 0.6493 | NPC119271 |
Remote Similarity | 0.6489 | NPC42211 |
Remote Similarity | 0.6444 | NPC56493 |
Remote Similarity | 0.6433 | NPC315631 |
Remote Similarity | 0.6429 | NPC242933 |
Remote Similarity | 0.6418 | NPC269457 |
Remote Similarity | 0.6397 | NPC474364 |
Remote Similarity | 0.6397 | NPC10251 |
Remote Similarity | 0.6397 | NPC469636 |
Remote Similarity | 0.6397 | NPC85493 |
Remote Similarity | 0.6397 | NPC17417 |
Remote Similarity | 0.6391 | NPC60679 |
Remote Similarity | 0.6391 | NPC89886 |
Remote Similarity | 0.6371 | NPC318107 |
Remote Similarity | 0.6364 | NPC27904 |
Remote Similarity | 0.6352 | NPC315829 |
Remote Similarity | 0.6351 | NPC307437 |
Remote Similarity | 0.6351 | NPC58827 |
Remote Similarity | 0.6351 | NPC72473 |
Remote Similarity | 0.635 | NPC251854 |
Remote Similarity | 0.635 | NPC214067 |
Remote Similarity | 0.635 | NPC93084 |
Remote Similarity | 0.635 | NPC174099 |
Remote Similarity | 0.635 | NPC196246 |
Remote Similarity | 0.6345 | NPC26285 |
Remote Similarity | 0.6344 | NPC38961 |
Remote Similarity | 0.6343 | NPC38262 |
Remote Similarity | 0.6324 | NPC172170 |
Remote Similarity | 0.6316 | NPC45613 |
Remote Similarity | 0.631 | NPC182131 |
Remote Similarity | 0.6304 | NPC260818 |
Remote Similarity | 0.6304 | NPC305912 |
Remote Similarity | 0.6304 | NPC1082 |
Remote Similarity | 0.6296 | NPC209632 |
Remote Similarity | 0.6284 | NPC250476 |
Remote Similarity | 0.6279 | NPC261181 |
Remote Similarity | 0.6277 | NPC265407 |
Remote Similarity | 0.6277 | NPC83628 |
Remote Similarity | 0.6272 | NPC470971 |
Remote Similarity | 0.6267 | NPC477432 |
Remote Similarity | 0.6266 | NPC282578 |
Remote Similarity | 0.6259 | NPC270699 |
Remote Similarity | 0.6259 | NPC82899 |
Remote Similarity | 0.6259 | NPC321852 |
Remote Similarity | 0.625 | NPC30594 |
Remote Similarity | 0.625 | NPC37622 |
Remote Similarity | 0.6242 | NPC301702 |
Remote Similarity | 0.6228 | NPC475983 |
Remote Similarity | 0.6228 | NPC199737 |
Remote Similarity | 0.6226 | NPC472242 |
Remote Similarity | 0.6222 | NPC114594 |
Remote Similarity | 0.622 | NPC173443 |
Remote Similarity | 0.6216 | NPC470343 |
Remote Similarity | 0.6216 | NPC472244 |
Remote Similarity | 0.6215 | NPC282103 |
Remote Similarity | 0.6214 | NPC161611 |
Remote Similarity | 0.6211 | NPC85661 |
Remote Similarity | 0.6194 | NPC43218 |
Remote Similarity | 0.6187 | NPC474157 |
Remote Similarity | 0.6187 | NPC210089 |
Remote Similarity | 0.6187 | NPC476003 |
Remote Similarity | 0.6185 | NPC84347 |
Remote Similarity | 0.6183 | NPC61944 |
Remote Similarity | 0.6172 | NPC62765 |
Remote Similarity | 0.617 | NPC322735 |
Remote Similarity | 0.617 | NPC57051 |
Remote Similarity | 0.617 | NPC474363 |
Remote Similarity | 0.617 | NPC307651 |
Remote Similarity | 0.617 | NPC153053 |
Remote Similarity | 0.6168 | NPC93653 |
Remote Similarity | 0.6159 | NPC269023 |
Remote Similarity | 0.6159 | NPC99846 |
Remote Similarity | 0.6158 | NPC46679 |
Remote Similarity | 0.6146 | NPC61731 |
Remote Similarity | 0.6146 | NPC186569 |
Remote Similarity | 0.6144 | NPC130655 |
Remote Similarity | 0.6143 | NPC474314 |
Remote Similarity | 0.6138 | NPC321869 |
Remote Similarity | 0.6136 | NPC253423 |
Remote Similarity | 0.6127 | NPC210092 |
Remote Similarity | 0.6127 | NPC329190 |
Remote Similarity | 0.6126 | NPC171882 |
Remote Similarity | 0.6126 | NPC121510 |
Remote Similarity | 0.6122 | NPC39818 |
Remote Similarity | 0.6118 | NPC314861 |
Remote Similarity | 0.6118 | NPC231382 |
Remote Similarity | 0.6115 | NPC472243 |
Remote Similarity | 0.6101 | NPC308197 |
Remote Similarity | 0.6099 | NPC474176 |
Remote Similarity | 0.6099 | NPC272524 |
Remote Similarity | 0.6099 | NPC128368 |
Remote Similarity | 0.609 | NPC287358 |
Remote Similarity | 0.609 | NPC229242 |
Remote Similarity | 0.6087 | NPC478039 |
Remote Similarity | 0.6087 | NPC470023 |
Remote Similarity | 0.6084 | NPC149691 |
Remote Similarity | 0.6082 | NPC124658 |
Remote Similarity | 0.6082 | NPC227361 |
Remote Similarity | 0.608 | NPC475685 |
Remote Similarity | 0.6074 | NPC241392 |
Remote Similarity | 0.6071 | NPC167504 |
Remote Similarity | 0.6063 | NPC89377 |
Remote Similarity | 0.6057 | NPC9475 |
Remote Similarity | 0.6056 | NPC308744 |
Remote Similarity | 0.6054 | NPC470021 |
Remote Similarity | 0.6053 | NPC314431 |
Remote Similarity | 0.6053 | NPC280807 |
Remote Similarity | 0.6051 | NPC290227 |
Remote Similarity | 0.6047 | NPC471778 |
Remote Similarity | 0.6045 | NPC323726 |
Remote Similarity | 0.6045 | NPC228435 |
Remote Similarity | 0.6045 | NPC217621 |
Remote Similarity | 0.604 | NPC317758 |
Remote Similarity | 0.6038 | NPC472241 |
Remote Similarity | 0.6037 | NPC314223 |
Remote Similarity | 0.6031 | NPC91234 |
Remote Similarity | 0.6028 | NPC79496 |
Remote Similarity | 0.6028 | NPC158282 |
Remote Similarity | 0.6026 | NPC159589 |
Remote Similarity | 0.6024 | NPC161827 |
Remote Similarity | 0.602 | NPC240684 |
Remote Similarity | 0.6014 | NPC474685 |
Remote Similarity | 0.6014 | NPC81808 |
Remote Similarity | 0.6012 | NPC474814 |
Remote Similarity | 0.6012 | NPC112336 |
Remote Similarity | 0.6 | NPC189116 |
Remote Similarity | 0.6 | NPC282895 |
Remote Similarity | 0.5988 | NPC470894 |
Remote Similarity | 0.5978 | NPC471742 |
Remote Similarity | 0.5974 | NPC313466 |
Remote Similarity | 0.5972 | NPC220540 |
Remote Similarity | 0.5972 | NPC188907 |
Remote Similarity | 0.5971 | NPC44836 |
Remote Similarity | 0.5969 | NPC220893 |
Remote Similarity | 0.596 | NPC322433 |
Remote Similarity | 0.5957 | NPC243355 |
Remote Similarity | 0.5957 | NPC329358 |
Remote Similarity | 0.5956 | NPC284477 |
Remote Similarity | 0.5956 | NPC304873 |
Remote Similarity | 0.5956 | NPC25458 |
Remote Similarity | 0.5948 | NPC194562 |
Remote Similarity | 0.5944 | NPC322621 |
Remote Similarity | 0.5944 | NPC237366 |
Remote Similarity | 0.5942 | NPC476198 |
Remote Similarity | 0.5941 | NPC257763 |
Remote Similarity | 0.5932 | NPC256268 |
Remote Similarity | 0.5931 | NPC131192 |
Remote Similarity | 0.5931 | NPC128825 |
Remote Similarity | 0.593 | NPC256422 |
Remote Similarity | 0.5924 | NPC196708 |
Remote Similarity | 0.5918 | NPC226143 |
Remote Similarity | 0.5917 | NPC97380 |
Remote Similarity | 0.5917 | NPC243673 |
Remote Similarity | 0.5917 | NPC63210 |
Remote Similarity | 0.5917 | NPC148468 |
Remote Similarity | 0.5917 | NPC310403 |
Remote Similarity | 0.5917 | NPC263709 |
Molecular Weight   | 226.02 |
ALogP   | 1.3314 |
MLogP   | 1.46 |
XLogP   | 2.128 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 7 |
TPSA   | 112.58 |
RO5 Violation   | 0 |