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DocumentationIdentifier: MM381583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381583 |
| SMILES |
C#CC(O)C(=CC)OC=O
|
| InChIKey |
PLXFEDGKFBXDGO-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50502
Similarity: 0.7097
Similarity to MM50502
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75922
Similarity: 0.6264
Similarity to MM75922
| Tanimoto metric | 0.6264 |
|---|---|
| Cosine metric | 0.7711 |
| Dice metric | 0.7703 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410103
Similarity: 0.5914
Similarity to MM410103
| Tanimoto metric | 0.5914 |
|---|---|
| Cosine metric | 0.7441 |
| Dice metric | 0.7432 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
