Drug ID:   | NPD9286 |
Drug Name:   | |
Molecular Formula:   | C7H8N2O3 |
Canonical SMILES:   | ON/C(=C1/C=CC(=O)C(=C1)O)/N |
Standard InCHI:   | InChI=1S/C7H8N2O3/c8-7(9-12)4-1-2-5(10)6(11)3-4/h1-3,9,11-12H,8H2/b7-4- |
Standard InCHIKey:   | UYRMXZIBPZVBNO-DAXSKMNVSA-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 |
---|---|---|
Remote Similarity | 0.6667 | NPC229046 |
Remote Similarity | 0.6667 | NPC46565 |
Remote Similarity | 0.6393 | NPC137396 |
Remote Similarity | 0.6207 | NPC158853 |
Remote Similarity | 0.6167 | NPC313553 |
Remote Similarity | 0.6094 | NPC297280 |
Remote Similarity | 0.6061 | NPC281195 |
Remote Similarity | 0.5938 | NPC129710 |
Remote Similarity | 0.5821 | NPC320421 |
Remote Similarity | 0.5806 | NPC220191 |
Remote Similarity | 0.5769 | NPC304788 |
Remote Similarity | 0.5763 | NPC106547 |
Remote Similarity | 0.5714 | NPC22329 |
Remote Similarity | 0.5667 | NPC110396 |
Remote Similarity | 0.5614 | NPC111474 |
Remote Similarity | 0.5614 | NPC2741 |
Molecular Weight   | 168.05 |
ALogP   | -1.3471 |
MLogP   | 1.68 |
XLogP   | -0.003 |
HDA   | 3 |
HBD   | 4 |
Rotatable Bonds   | 4 |
TPSA   | 95.58 |
RO5 Violation   | 0 |