Drug ID:   | NPD8843 |
Drug Name:   | Amifampridine Phosphate |
Molecular Formula:   | C5H7N3.H3O4P |
Canonical SMILES:   | OP(=O)(O)O.N=c1cc[nH]cc1N |
Standard InCHI:   | InChI=1S/C5H7N3.H3O4P/c6-4-1-2-8-3-5(4)7;1-5(2,3)4/h1-3H,7H2,(H2,6,8);(H3,1,2,3,4) |
Standard InCHIKey:   | KAICRBBQCRKMPO-UHFFFAOYSA-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 |
---|---|---|
High Similarity | 0.9744 | NPC57565 |
Remote Similarity | 0.6667 | NPC230087 |
Remote Similarity | 0.6327 | NPC305607 |
Remote Similarity | 0.5926 | NPC212436 |
Molecular Weight   | 109.06 |
ALogP   | -1.9358 |
MLogP   | 1.68 |
XLogP   | 0.347 |
HDA   | 3 |
HBD   | 3 |
Rotatable Bonds   | 1 |
TPSA   | 61.9 |
RO5 Violation   | 0 |