Drug ID:   | NPD9534 |
Drug Name:   | Dexelvucitabine |
Molecular Formula:   | C9H10FN3O3 |
Canonical SMILES:   | Oc1nc(=N)c(cn1[C@@H]1O[C@@H](C=C1)CO)F |
Standard InCHI:   | InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m0/s1 |
Standard InCHIKey:   | HSBKFSPNDWWPSL-CAHLUQPWSA-N |
Max Developmental Stage:   | Phase 2 |
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 | 0.6744 | NPC469972 |
Remote Similarity | 0.6703 | NPC229249 |
Remote Similarity | 0.6489 | NPC190334 |
Remote Similarity | 0.6489 | NPC62927 |
Remote Similarity | 0.625 | NPC328806 |
Remote Similarity | 0.61 | NPC329384 |
Remote Similarity | 0.604 | NPC6166 |
Remote Similarity | 0.604 | NPC280946 |
Remote Similarity | 0.604 | NPC226769 |
Remote Similarity | 0.6034 | NPC245534 |
Remote Similarity | 0.598 | NPC90240 |
Remote Similarity | 0.598 | NPC120887 |
Remote Similarity | 0.5922 | NPC328779 |
Remote Similarity | 0.581 | NPC328914 |
Molecular Weight   | 227.07 |
ALogP   | -0.8826 |
MLogP   | 1.68 |
XLogP   | 0.728 |
HDA   | 6 |
HBD   | 3 |
Rotatable Bonds   | 5 |
TPSA   | 89.14 |
RO5 Violation   | 0 |