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DocumentationIdentifier: MM348363
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348363 |
| SMILES |
N#CC(O)C(O)C(O)CO
|
| InChIKey |
SWNJRURQYJZVFL-UHFFFAOYSA-N
|
| MW [Da] |
147.13
Automatically obtained from RDkit software. |
| LogP |
-2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160025
Similarity: 0.8
Similarity to MM160025
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172078
Similarity: 0.7714
Similarity to MM172078
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348361
Similarity: 0.7563
Similarity to MM348361
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8613 |
| Dice metric | 0.8612 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
