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DocumentationIdentifier: MM351598
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351598 |
| SMILES |
C#CC(O)C(=C)COC=O
|
| InChIKey |
LEYSIXBLNVSLDA-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50477
Similarity: 0.7984
Similarity to MM50477
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.8879 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162501
Similarity: 0.7054
Similarity to MM162501
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8273 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409879
Similarity: 0.6519
Similarity to MM409879
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.7893 |
| Dice metric | 0.7893 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
