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DocumentationIdentifier: MM139284
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139284 |
| SMILES |
CCC(C)(CC#N)OC
|
| InChIKey |
JAYZKELSXODQOJ-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61407
Similarity: 0.9302
Similarity to MM61407
| Tanimoto metric | 0.9302 |
|---|---|
| Cosine metric | 0.9645 |
| Dice metric | 0.9639 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312431
Similarity: 0.9302
Similarity to MM312431
| Tanimoto metric | 0.9302 |
|---|---|
| Cosine metric | 0.9645 |
| Dice metric | 0.9639 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28515
Similarity: 0.75
Similarity to MM28515
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+440 more
