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DocumentationIdentifier: MM37085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37085 |
| SMILES |
C#CC=CC(=O)OC
|
| InChIKey |
AHMIYBXPGOFGQT-UHFFFAOYSA-N
|
| MW [Da] |
110.11
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158072
Similarity: 0.7738
Similarity to MM158072
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93441
Similarity: 0.7386
Similarity to MM93441
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8497 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93436
Similarity: 0.7303
Similarity to MM93436
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8442 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
