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DocumentationIdentifier: MM417280
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417280 |
| SMILES |
COC(C#CC(=O)O)C=O
|
| InChIKey |
WKWUAPFRNILYNN-UHFFFAOYSA-N
|
| MW [Da] |
142.11
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM16297
Similarity: 0.7478
Similarity to MM16297
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8557 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55457
Similarity: 0.7304
Similarity to MM55457
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8442 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418792
Similarity: 0.7217
Similarity to MM418792
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 128.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
