Drug ID:   | NPD9749 |
Drug Name:   | |
Molecular Formula:   | CH2O3 |
Canonical SMILES:   | [O-]C(=O)O |
Standard InCHI:   | InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1 |
Standard InCHIKey:   | BVKZGUZCCUSVTD-UHFFFAOYSA-M |
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 | 1.0 | NPC327795 |
Remote Similarity | 0.6154 | NPC159900 |
Remote Similarity | 0.5714 | NPC300325 |
Molecular Weight   | 60.99 |
ALogP   | -0.5155 |
MLogP   | 1.24 |
XLogP   | -0.711 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 2 |
TPSA   | 60.36 |
RO5 Violation   | 0 |