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DocumentationIdentifier: MM251454
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251454 |
| SMILES |
CC=CC(C)CCC(=O)O
|
| InChIKey |
XQPJBUNUYAKYNC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144409
Similarity: 0.8065
Similarity to MM144409
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341336
Similarity: 0.75
Similarity to MM341336
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8571 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340841
Similarity: 0.6637
Similarity to MM340841
| Tanimoto metric | 0.6637 |
|---|---|
| Cosine metric | 0.7979 |
| Dice metric | 0.7979 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
