Drug ID:   | NPD9473 |
Drug Name:   | Nitrofurantoin Sodium |
Molecular Formula:   | C8H6N4O5.Na |
Canonical SMILES:   | O=C1N=C(CN1/N=C/c1ccc(o1)N(=O)=O)[O-].[Na+] |
Standard InCHI:   | InChI=1S/C8H6N4O5.Na/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16;/h1-3H,4H2,(H,10,13,14);/q;+1/p-1/b9-3+; |
Standard InCHIKey:   | AFDJQFFKYDCYIG-JSGFVSQVSA-M |
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 | 0.6404 | NPC320751 |
Remote Similarity | 0.5966 | NPC325857 |
Remote Similarity | 0.5947 | NPC471648 |
Remote Similarity | 0.5922 | NPC471647 |
Remote Similarity | 0.5922 | NPC471646 |
Remote Similarity | 0.5872 | NPC208022 |
Remote Similarity | 0.5855 | NPC286195 |
Remote Similarity | 0.5838 | NPC297584 |
Remote Similarity | 0.5674 | NPC471653 |
Remote Similarity | 0.5668 | NPC471649 |
Remote Similarity | 0.5657 | NPC288305 |
Remote Similarity | 0.5625 | NPC471652 |
Molecular Weight   | 237.03 |
ALogP   | -1.252 |
MLogP   | 1.35 |
XLogP   | 0.881 |
HDA   | 5 |
HBD   | 0 |
Rotatable Bonds   | 5 |
TPSA   | 124.37 |
RO5 Violation   | 0 |