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DocumentationIdentifier: MM237777
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237777 |
| SMILES |
C#CC#CC(=O)OC(C)C
|
| InChIKey |
FBDUKVBLCOTKLM-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135933
Similarity: 0.8511
Similarity to MM135933
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158545
Similarity: 0.8085
Similarity to MM158545
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221336
Similarity: 0.7477
Similarity to MM221336
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8556 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
