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DocumentationIdentifier: MM348545
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348545 |
| SMILES |
N#CC(O)C(O)COC=O
|
| InChIKey |
YOBQQEXBDXMKAK-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
-1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50004
Similarity: 0.7679
Similarity to MM50004
| Tanimoto metric | 0.7679 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8687 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406759
Similarity: 0.6214
Similarity to MM406759
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7666 |
| Dice metric | 0.7665 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362247
Similarity: 0.6154
Similarity to MM362247
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7636 |
| Dice metric | 0.7619 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
