Drug ID:   | NPD9203 |
Drug Name:   | Ethadione |
Molecular Formula:   | C7H11NO3 |
Canonical SMILES:   | CCN1C(=O)OC(C1=O)(C)C |
Standard InCHI:   | InChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3 |
Standard InCHIKey:   | SIGSNYAYBSJATD-UHFFFAOYSA-N |
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 |
---|---|---|
Remote Similarity | 0.64 | NPC234196 |
Remote Similarity | 0.6029 | NPC10716 |
Remote Similarity | 0.5942 | NPC212866 |
Remote Similarity | 0.5942 | NPC29598 |
Remote Similarity | 0.5616 | NPC263281 |
Remote Similarity | 0.5616 | NPC178919 |
Molecular Weight   | 157.07 |
ALogP   | 0.7393 |
MLogP   | 1.79 |
XLogP   | 0.414 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 4 |
TPSA   | 46.61 |
RO5 Violation   | 0 |