Drug ID:   | NPD8812 |
Drug Name:   | Forigerimod Acetate |
Molecular Formula:   | C5H12NO5P.C2H4O2 |
Canonical SMILES:   | CC(=O)O.CN[C@H](C(=O)C)COP(=O)(O)O |
Standard InCHI:   | InChI=1S/C5H12NO5P.C2H4O2/c1-4(7)5(6-2)3-11-12(8,9)10;1-2(3)4/h5-6H,3H2,1-2H3,(H2,8,9,10);1H3,(H,3,4)/t5-;/m0./s1 |
Standard InCHIKey:   | RZLQANFWSBJHDK-JEDNCBNOSA-N |
Max Developmental Stage:   | Phase 3 |
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 | 0.6964 | NPC286989 |
Remote Similarity | 0.6364 | NPC198301 |
Remote Similarity | 0.6271 | NPC315977 |
Remote Similarity | 0.6102 | NPC93888 |
Remote Similarity | 0.6102 | NPC270805 |
Remote Similarity | 0.6 | NPC292422 |
Molecular Weight   | 197.05 |
ALogP   | -1.1136 |
MLogP   | 1.24 |
XLogP   | -2.364 |
HDA   | 6 |
HBD   | 3 |
Rotatable Bonds   | 9 |
TPSA   | 105.67 |
RO5 Violation   | 0 |