Drug ID:   | NPD156 |
Drug Name:   | Edaravone |
Molecular Formula:   | C10H10N2O |
Canonical SMILES:   | O=C1CC(=NN1c1ccccc1)C |
Standard InCHI:   | InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
Standard InCHIKey:   | QELUYTUMUWHWMC-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 3 |
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 |
---|---|---|
High Similarity | 0.8627 | NPC326792 |
Intermediate Similarity | 0.8148 | NPC20322 |
Intermediate Similarity | 0.8 | NPC75496 |
Intermediate Similarity | 0.7458 | NPC31651 |
Intermediate Similarity | 0.7404 | NPC92689 |
Intermediate Similarity | 0.7228 | NPC15839 |
Intermediate Similarity | 0.72 | NPC307456 |
Remote Similarity | 0.6762 | NPC229477 |
Remote Similarity | 0.6731 | NPC134825 |
Remote Similarity | 0.6694 | NPC296163 |
Remote Similarity | 0.6606 | NPC78154 |
Remote Similarity | 0.6577 | NPC476483 |
Remote Similarity | 0.648 | NPC192209 |
Remote Similarity | 0.6435 | NPC213774 |
Remote Similarity | 0.6423 | NPC187036 |
Remote Similarity | 0.641 | NPC474430 |
Remote Similarity | 0.6391 | NPC187231 |
Remote Similarity | 0.6356 | NPC275467 |
Remote Similarity | 0.6351 | NPC477887 |
Remote Similarity | 0.6337 | NPC66775 |
Remote Similarity | 0.6331 | NPC204156 |
Remote Similarity | 0.632 | NPC288232 |
Remote Similarity | 0.629 | NPC57051 |
Remote Similarity | 0.6281 | NPC302790 |
Remote Similarity | 0.6277 | NPC300299 |
Remote Similarity | 0.6275 | NPC301874 |
Remote Similarity | 0.6271 | NPC178681 |
Remote Similarity | 0.62 | NPC271732 |
Remote Similarity | 0.619 | NPC117032 |
Remote Similarity | 0.6186 | NPC291610 |
Remote Similarity | 0.6183 | NPC254698 |
Remote Similarity | 0.6176 | NPC207428 |
Remote Similarity | 0.617 | NPC471574 |
Remote Similarity | 0.616 | NPC314141 |
Remote Similarity | 0.6148 | NPC314431 |
Remote Similarity | 0.6143 | NPC83214 |
Remote Similarity | 0.6143 | NPC469560 |
Remote Similarity | 0.6127 | NPC238499 |
Remote Similarity | 0.6126 | NPC297532 |
Remote Similarity | 0.6124 | NPC291962 |
Remote Similarity | 0.6124 | NPC177684 |
Remote Similarity | 0.6124 | NPC226143 |
Remote Similarity | 0.6119 | NPC476950 |
Remote Similarity | 0.6116 | NPC473498 |
Remote Similarity | 0.6115 | NPC325599 |
Remote Similarity | 0.6099 | NPC207554 |
Remote Similarity | 0.6094 | NPC313449 |
Remote Similarity | 0.6087 | NPC316104 |
Remote Similarity | 0.6087 | NPC162417 |
Remote Similarity | 0.6087 | NPC184437 |
Remote Similarity | 0.6084 | NPC277157 |
Remote Similarity | 0.6077 | NPC258531 |
Remote Similarity | 0.6077 | NPC179605 |
Remote Similarity | 0.6077 | NPC112373 |
Remote Similarity | 0.6077 | NPC279385 |
Remote Similarity | 0.6077 | NPC161956 |
Remote Similarity | 0.6074 | NPC150863 |
Remote Similarity | 0.6068 | NPC317642 |
Remote Similarity | 0.6063 | NPC143156 |
Remote Similarity | 0.6058 | NPC53044 |
Remote Similarity | 0.6047 | NPC228515 |
Remote Similarity | 0.6042 | NPC136002 |
Remote Similarity | 0.6033 | NPC313362 |
Remote Similarity | 0.6031 | NPC103292 |
Remote Similarity | 0.6031 | NPC257490 |
Remote Similarity | 0.6029 | NPC280807 |
Remote Similarity | 0.6029 | NPC472245 |
Remote Similarity | 0.6028 | NPC65408 |
Remote Similarity | 0.6016 | NPC164802 |
Remote Similarity | 0.6 | NPC471123 |
Remote Similarity | 0.5985 | NPC39818 |
Remote Similarity | 0.5984 | NPC470550 |
Remote Similarity | 0.597 | NPC474926 |
Remote Similarity | 0.5969 | NPC148140 |
Remote Similarity | 0.5959 | NPC470440 |
Remote Similarity | 0.5957 | NPC287358 |
Remote Similarity | 0.5957 | NPC122553 |
Remote Similarity | 0.5954 | NPC316582 |
Remote Similarity | 0.5948 | NPC143457 |
Remote Similarity | 0.5944 | NPC2823 |
Remote Similarity | 0.5944 | NPC471164 |
Remote Similarity | 0.5942 | NPC40364 |
Remote Similarity | 0.5926 | NPC250476 |
Remote Similarity | 0.5923 | NPC81561 |
Remote Similarity | 0.5918 | NPC478186 |
Remote Similarity | 0.5912 | NPC9856 |
Remote Similarity | 0.5896 | NPC317758 |
Remote Similarity | 0.5887 | NPC231655 |
Remote Similarity | 0.587 | NPC231382 |
Remote Similarity | 0.5865 | NPC268534 |
Remote Similarity | 0.5854 | NPC24060 |
Remote Similarity | 0.5839 | NPC209389 |
Remote Similarity | 0.5833 | NPC470301 |
Remote Similarity | 0.5828 | NPC281094 |
Remote Similarity | 0.5821 | NPC41174 |
Remote Similarity | 0.582 | NPC328877 |
Remote Similarity | 0.5809 | NPC322433 |
Remote Similarity | 0.5806 | NPC76327 |
Remote Similarity | 0.5806 | NPC172170 |
Remote Similarity | 0.5802 | NPC264580 |
Remote Similarity | 0.5789 | NPC215519 |
Remote Similarity | 0.5778 | NPC192533 |
Remote Similarity | 0.5775 | NPC267508 |
Remote Similarity | 0.5769 | NPC147957 |
Remote Similarity | 0.5766 | NPC478079 |
Remote Similarity | 0.5764 | NPC315051 |
Remote Similarity | 0.5764 | NPC130251 |
Remote Similarity | 0.5758 | NPC162689 |
Remote Similarity | 0.5758 | NPC54102 |
Remote Similarity | 0.5752 | NPC262295 |
Remote Similarity | 0.5745 | NPC330326 |
Remote Similarity | 0.5745 | NPC91615 |
Remote Similarity | 0.5739 | NPC476160 |
Remote Similarity | 0.5735 | NPC472244 |
Remote Similarity | 0.5735 | NPC470343 |
Remote Similarity | 0.5724 | NPC301760 |
Remote Similarity | 0.5714 | NPC472258 |
Remote Similarity | 0.5714 | NPC255721 |
Remote Similarity | 0.5714 | NPC104345 |
Remote Similarity | 0.5714 | NPC470822 |
Remote Similarity | 0.5705 | NPC194881 |
Remote Similarity | 0.5704 | NPC283130 |
Remote Similarity | 0.5704 | NPC328683 |
Remote Similarity | 0.5702 | NPC111233 |
Remote Similarity | 0.5702 | NPC30445 |
Remote Similarity | 0.5694 | NPC181527 |
Remote Similarity | 0.5683 | NPC313823 |
Remote Similarity | 0.568 | NPC79618 |
Remote Similarity | 0.568 | NPC434 |
Remote Similarity | 0.5669 | NPC9336 |
Remote Similarity | 0.5667 | NPC300596 |
Remote Similarity | 0.5667 | NPC237649 |
Remote Similarity | 0.5664 | NPC122542 |
Remote Similarity | 0.5655 | NPC472243 |
Remote Similarity | 0.5652 | NPC75999 |
Remote Similarity | 0.5652 | NPC173991 |
Remote Similarity | 0.5652 | NPC315403 |
Remote Similarity | 0.5645 | NPC313810 |
Remote Similarity | 0.5641 | NPC68650 |
Remote Similarity | 0.5638 | NPC324445 |
Remote Similarity | 0.5638 | NPC259678 |
Remote Similarity | 0.5625 | NPC14448 |
Remote Similarity | 0.5625 | NPC138596 |
Remote Similarity | 0.5625 | NPC195704 |
Remote Similarity | 0.5625 | NPC98156 |
Remote Similarity | 0.5625 | NPC292434 |
Remote Similarity | 0.5625 | NPC200397 |
Remote Similarity | 0.5625 | NPC167200 |
Remote Similarity | 0.5625 | NPC64661 |
Remote Similarity | 0.5621 | NPC295021 |
Remote Similarity | 0.5621 | NPC471132 |
Remote Similarity | 0.562 | NPC122718 |
Remote Similarity | 0.5617 | NPC13367 |
Remote Similarity | 0.5617 | NPC469529 |
Remote Similarity | 0.5616 | NPC22082 |
Remote Similarity | 0.5616 | NPC186284 |
Remote Similarity | 0.5615 | NPC205652 |
Remote Similarity | 0.5613 | NPC299594 |
Remote Similarity | 0.5612 | NPC278451 |
Remote Similarity | 0.5605 | NPC476231 |
Remote Similarity | 0.5603 | NPC22079 |
Remote Similarity | 0.5603 | NPC476689 |
Remote Similarity | 0.5603 | NPC476687 |
Remote Similarity | 0.5603 | NPC476685 |
Remote Similarity | 0.5603 | NPC191444 |
Remote Similarity | 0.56 | NPC471447 |
Molecular Weight   | 174.08 |
ALogP   | -0.6957 |
MLogP   | 2.23 |
XLogP   | 2.462 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 2 |
TPSA   | 32.67 |
RO5 Violation   | 0 |