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DocumentationIdentifier: MM246567
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246567 |
| SMILES |
C#CC(=O)OC(=C)C(C)C
|
| InChIKey |
MYQVQYVIQAGASF-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142811
Similarity: 0.8189
Similarity to MM142811
| Tanimoto metric | 0.8189 |
|---|---|
| Cosine metric | 0.9049 |
| Dice metric | 0.9004 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133914
Similarity: 0.748
Similarity to MM133914
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8559 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263863
Similarity: 0.7222
Similarity to MM263863
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8387 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
