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DocumentationIdentifier: MM90592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90592 |
| SMILES |
C#CC(O)C(=O)C#CC=O
|
| InChIKey |
WFITWLDXTUKWLD-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50907
Similarity: 0.8547
Similarity to MM50907
| Tanimoto metric | 0.8547 |
|---|---|
| Cosine metric | 0.9245 |
| Dice metric | 0.9217 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295812
Similarity: 0.7907
Similarity to MM295812
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8831 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359169
Similarity: 0.7786
Similarity to MM359169
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.8755 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
