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DocumentationIdentifier: MM150598
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150598 |
| SMILES |
C#CC(=CC)OC(C)=O
|
| InChIKey |
MFKZYZQKQICSIU-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM273947
Similarity: 0.8425
Similarity to MM273947
| Tanimoto metric | 0.8425 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9145 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334654
Similarity: 0.8168
Similarity to MM334654
| Tanimoto metric | 0.8168 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67536
Similarity: 0.7926
Similarity to MM67536
| Tanimoto metric | 0.7926 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8843 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
