Drug ID:   | NPD9743 |
Drug Name:   | Dihydroxialumini Sodium Carbonate |
Molecular Formula:   | CH2O3.Al.Na.2H2O |
Canonical SMILES:   | [O-]C(=O)[O-].[OH-].[OH-].[Na+].[Al+3] |
Standard InCHI:   | InChI=1S/CH2O3.Al.Na.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;+3;+1;;/p-4 |
Standard InCHIKey:   | SEIGJEJVIMIXIU-UHFFFAOYSA-J |
Max Developmental Stage:   | Approved |
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 |
---|---|---|
Intermediate Similarity | 0.75 | NPC327795 |
Molecular Weight   | 59.98 |
ALogP   | -1.1933 |
MLogP   | 1.24 |
XLogP   | -1.192 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 2 |
TPSA   | 63.19 |
RO5 Violation   | 0 |