Drug ID:   | NPD9755 |
Drug Name:   | |
Molecular Formula:   | CH3O5P |
Canonical SMILES:   | [O-]C(=O)P(=O)([O-])[O-] |
Standard InCHI:   | InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3 |
Standard InCHIKey:   | ZJAOAACCNHFJAH-UHFFFAOYSA-K |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD |
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 | 0.8667 | NPC117466 |
Molecular Weight   | 122.95 |
ALogP   | -2.4908 |
MLogP   | 0.91 |
XLogP   | -2.608 |
HDA   | 5 |
HBD   | 0 |
Rotatable Bonds   | 4 |
TPSA   | 113.13 |
RO5 Violation   | 0 |