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DocumentationIdentifier: MM60323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60323 |
| SMILES |
CC(=O)C=C(C)COC=O
|
| InChIKey |
LEOKSTSNVIDMHZ-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158966
Similarity: 0.7196
Similarity to MM158966
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45422
Similarity: 0.6449
Similarity to MM45422
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.7841 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360401
Similarity: 0.6417
Similarity to MM360401
| Tanimoto metric | 0.6417 |
|---|---|
| Cosine metric | 0.7847 |
| Dice metric | 0.7817 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
