Drug ID:   | NPD419 |
Drug Name:   | Furazidin |
Molecular Formula:   | C10H8N4O5 |
Canonical SMILES:   | OC1=NC(=O)N(C1)/N=C/C=C/c1ccc(o1)N(=O)=O |
Standard InCHI:   | InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)/b2-1+,11-5+ |
Standard InCHIKey:   | DECBQELQORZLLP-UAIOPKHMSA-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 | 0.6497 | NPC320751 |
Remote Similarity | 0.6149 | NPC325857 |
Remote Similarity | 0.6032 | NPC471648 |
Remote Similarity | 0.6023 | NPC297584 |
Remote Similarity | 0.6011 | NPC471646 |
Remote Similarity | 0.6011 | NPC471647 |
Remote Similarity | 0.5872 | NPC208022 |
Remote Similarity | 0.5773 | NPC286195 |
Remote Similarity | 0.5763 | NPC471653 |
Remote Similarity | 0.5753 | NPC471649 |
Remote Similarity | 0.5744 | NPC315631 |
Remote Similarity | 0.5736 | NPC270301 |
Remote Similarity | 0.5736 | NPC288305 |
Remote Similarity | 0.5707 | NPC471652 |
Remote Similarity | 0.5679 | NPC264782 |
Remote Similarity | 0.5668 | NPC315257 |
Remote Similarity | 0.5657 | NPC28368 |
Remote Similarity | 0.5629 | NPC233791 |
Remote Similarity | 0.5616 | NPC45389 |
Remote Similarity | 0.5607 | NPC471561 |
Molecular Weight   | 264.05 |
ALogP   | -0.2131 |
MLogP   | 1.57 |
XLogP   | 1.153 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 121.54 |
RO5 Violation   | 0 |