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DocumentationIdentifier: MM358867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358867 |
| SMILES |
COC(C)C(=O)C#CC=O
|
| InChIKey |
BONXBBQXERUKKR-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174681
Similarity: 0.8699
Similarity to MM174681
| Tanimoto metric | 0.8699 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9304 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358766
Similarity: 0.8015
Similarity to MM358766
| Tanimoto metric | 0.8015 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8898 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90483
Similarity: 0.7589
Similarity to MM90483
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8629 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
