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DocumentationIdentifier: MM341051
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341051 |
| SMILES |
C=CC(CC)OCC(C)=O
|
| InChIKey |
XIPMAEXSMSOZPG-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM254834
Similarity: 0.7787
Similarity to MM254834
| Tanimoto metric | 0.7787 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8756 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327094
Similarity: 0.7094
Similarity to MM327094
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.83 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387387
Similarity: 0.6975
Similarity to MM387387
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8218 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
