Drug ID:   | NPD9696 |
Drug Name:   | Azathioprine Sodium |
Molecular Formula:   | C9H6N7O2S.Na |
Canonical SMILES:   | Cn1cnc(c1Sc1ncnc2c1nc[n-]2)N(=O)=O.[Na+] |
Standard InCHI:   | InChI=1S/C9H6N7O2S.Na/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8;/h2-4H,1H3;/q-1;+1 |
Standard InCHIKey:   | WISNYKIQFMKSDQ-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 |
---|---|---|
Remote Similarity | 0.6642 | NPC189314 |
Remote Similarity | 0.6587 | NPC87981 |
Remote Similarity | 0.6587 | NPC174114 |
Remote Similarity | 0.6308 | NPC476564 |
Remote Similarity | 0.6096 | NPC104011 |
Remote Similarity | 0.6061 | NPC18335 |
Remote Similarity | 0.5956 | NPC4837 |
Remote Similarity | 0.5956 | NPC312187 |
Remote Similarity | 0.5862 | NPC248007 |
Remote Similarity | 0.5849 | NPC136349 |
Remote Similarity | 0.5741 | NPC328479 |
Remote Similarity | 0.5736 | NPC51000 |
Remote Similarity | 0.5655 | NPC139776 |
Remote Similarity | 0.5612 | NPC47936 |
Molecular Weight   | 299.02 |
ALogP   | |
MLogP   | 1.24 |
XLogP   | -0.561 |
HDA   | 6 |
HBD   | 0 |
Rotatable Bonds   | 4 |
TPSA   | 123.8 |
RO5 Violation   | 0 |