Drug ID:   | NPD984 |
Drug Name:   | Ceftizoxime Sodium |
Molecular Formula:   | C13H13N5O5S2.Na |
Canonical SMILES:   | [O-]C(=N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O)/C(=NOC)/c1csc(=N)[nH]1.[Na+] |
Standard InCHI:   | InChI=1S/C13H13N5O5S2.Na/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18;/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22);/q;+1/p-1/b17-7-;/t8-,11-;/m1./s1 |
Standard InCHIKey:   | ADLFUPFRVXCDMO-LIGXYSTNSA-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 | 0.6581 | NPC144780 |
Remote Similarity | 0.6107 | NPC288109 |
Remote Similarity | 0.5802 | NPC59249 |
Molecular Weight   | 382.03 |
ALogP   | -1.0607 |
MLogP   | 1.57 |
XLogP   | 1.236 |
HDA   | 8 |
HBD   | 3 |
Rotatable Bonds   | 8 |
TPSA   | 201.1 |
RO5 Violation   | 0 |