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DocumentationIdentifier: MM318762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318762 |
| SMILES |
CC(C)C(C=O)CCCO
|
| InChIKey |
ARKJQLAUSUMZDY-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM362394
Similarity: 0.8293
Similarity to MM362394
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9067 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317868
Similarity: 0.7895
Similarity to MM317868
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318644
Similarity: 0.7317
Similarity to MM318644
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8451 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+425 more
