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DocumentationIdentifier: MM80114
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80114 |
| SMILES |
C#CC(CO)OC(=O)C=C
|
| InChIKey |
BPAKKGFJMUMYAL-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
MM44536
Similarity: 0.7638
Similarity to MM44536
| Tanimoto metric | 0.7638 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.8661 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142503
Similarity: 0.7323
Similarity to MM142503
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8455 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142161
Similarity: 0.685
Similarity to MM142161
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8277 |
| Dice metric | 0.8131 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
