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DocumentationIdentifier: MM415627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415627 |
| SMILES |
CCCC(O)CCC(C)C
|
| InChIKey |
KJMBBHZOLRRVMV-UHFFFAOYSA-N
|
| MW [Da] |
144.26
Automatically obtained from RDkit software. |
| LogP |
2.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM393118
Similarity: 0.9615
Similarity to MM393118
| Tanimoto metric | 0.9615 |
|---|---|
| Cosine metric | 0.9806 |
| Dice metric | 0.9804 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM399555
Similarity: 0.8276
Similarity to MM399555
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9057 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393668
Similarity: 0.8125
Similarity to MM393668
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+516 more
