Drug ID:   | NPD205 |
Drug Name:   | Stavudine |
Molecular Formula:   | C10H12N2O4 |
Canonical SMILES:   | OC[C@@H]1C=C[C@@H](O1)n1cc(C)c(nc1=O)O |
Standard InCHI:   | InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1 |
Standard InCHIKey:   | XNKLLVCARDGLGL-JGVFFNPUSA-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 |
---|---|---|
Intermediate Similarity | 0.7111 | NPC112842 |
Intermediate Similarity | 0.7111 | NPC71339 |
Remote Similarity | 0.6882 | NPC163352 |
Remote Similarity | 0.6882 | NPC210456 |
Remote Similarity | 0.6737 | NPC171116 |
Remote Similarity | 0.663 | NPC106780 |
Remote Similarity | 0.6598 | NPC327344 |
Remote Similarity | 0.6465 | NPC324516 |
Remote Similarity | 0.6465 | NPC318166 |
Remote Similarity | 0.6421 | NPC89051 |
Remote Similarity | 0.6421 | NPC43246 |
Remote Similarity | 0.6216 | NPC478024 |
Remote Similarity | 0.6162 | NPC324390 |
Remote Similarity | 0.61 | NPC322594 |
Remote Similarity | 0.61 | NPC320249 |
Remote Similarity | 0.6 | NPC235311 |
Remote Similarity | 0.6 | NPC253468 |
Remote Similarity | 0.598 | NPC17892 |
Remote Similarity | 0.598 | NPC36985 |
Remote Similarity | 0.5922 | NPC73765 |
Remote Similarity | 0.5922 | NPC283698 |
Remote Similarity | 0.59 | NPC315063 |
Remote Similarity | 0.5865 | NPC189764 |
Remote Similarity | 0.5865 | NPC233273 |
Remote Similarity | 0.5865 | NPC50902 |
Remote Similarity | 0.5865 | NPC205546 |
Remote Similarity | 0.5862 | NPC315141 |
Remote Similarity | 0.5862 | NPC129995 |
Remote Similarity | 0.5851 | NPC316123 |
Remote Similarity | 0.5824 | NPC326126 |
Remote Similarity | 0.5806 | NPC263266 |
Remote Similarity | 0.5747 | NPC273600 |
Remote Similarity | 0.5745 | NPC325902 |
Remote Similarity | 0.5738 | NPC315058 |
Remote Similarity | 0.5714 | NPC150505 |
Remote Similarity | 0.5714 | NPC74617 |
Remote Similarity | 0.5667 | NPC245534 |
Remote Similarity | 0.5652 | NPC314678 |
Remote Similarity | 0.5644 | NPC328806 |
Remote Similarity | 0.5619 | NPC317639 |
Remote Similarity | 0.5607 | NPC52820 |
Remote Similarity | 0.56 | NPC313962 |
Molecular Weight   | 224.08 |
ALogP   | -0.5042 |
MLogP   | 1.9 |
XLogP   | -0.383 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 82.36 |
RO5 Violation   | 0 |