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DocumentationIdentifier: MM382434
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382434 |
| SMILES |
N#CC(=CC=O)OCCO
|
| InChIKey |
DMJBLKGXFUHBJR-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179175
Similarity: 0.8318
Similarity to MM179175
| Tanimoto metric | 0.8318 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9082 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54821
Similarity: 0.7664
Similarity to MM54821
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8677 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90218
Similarity: 0.7479
Similarity to MM90218
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8558 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
