Drug ID:   | NPD8832 |
Drug Name:   | Tisopurine |
Molecular Formula:   | C5H4N4S |
Canonical SMILES:   | Sc1ncnc2c1c[nH]n2 |
Standard InCHI:   | InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) |
Standard InCHIKey:   | PYAOPMWCFSVFOT-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
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 | 0.8045 | NPC321929 |
Remote Similarity | 0.697 | NPC189314 |
Remote Similarity | 0.6716 | NPC68938 |
Remote Similarity | 0.6589 | NPC222061 |
Remote Similarity | 0.626 | NPC18335 |
Remote Similarity | 0.622 | NPC476128 |
Remote Similarity | 0.6048 | NPC326364 |
Remote Similarity | 0.6037 | NPC321393 |
Remote Similarity | 0.6031 | NPC87981 |
Remote Similarity | 0.6031 | NPC174114 |
Remote Similarity | 0.5912 | NPC4837 |
Remote Similarity | 0.5912 | NPC312187 |
Remote Similarity | 0.5762 | NPC57279 |
Remote Similarity | 0.5735 | NPC163105 |
Remote Similarity | 0.5629 | NPC104011 |
Molecular Weight   | 152.02 |
ALogP   | 0.0906 |
MLogP   | 1.46 |
XLogP   | 0.599 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 1 |
TPSA   | 93.26 |
RO5 Violation   | 0 |