Drug ID:   | NPD9198 |
Drug Name:   | Avibactam Sodium |
Molecular Formula:   | C7H11N3O6S.Na |
Canonical SMILES:   | [O-]C(=N)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O.[Na+] |
Standard InCHI:   | InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1 |
Standard InCHIKey:   | RTCIKUMODPANKX-JBUOLDKXSA-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 | 0.6447 | NPC243964 |
Remote Similarity | 0.6203 | NPC84182 |
Remote Similarity | 0.6203 | NPC128005 |
Remote Similarity | 0.5833 | NPC470781 |
Remote Similarity | 0.5833 | NPC76297 |
Remote Similarity | 0.5833 | NPC214532 |
Remote Similarity | 0.5833 | NPC196007 |
Remote Similarity | 0.5747 | NPC470782 |
Remote Similarity | 0.5698 | NPC209156 |
Remote Similarity | 0.5698 | NPC266888 |
Remote Similarity | 0.5698 | NPC126186 |
Remote Similarity | 0.5698 | NPC161774 |
Remote Similarity | 0.5698 | NPC256312 |
Remote Similarity | 0.561 | NPC287693 |
Molecular Weight   | 264.03 |
ALogP   | -2.6681 |
MLogP   | 1.13 |
XLogP   | -2.07 |
HDA   | 7 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 142.44 |
RO5 Violation   | 0 |