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DocumentationIdentifier: MM59011
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59011 |
| SMILES |
COCCC(C)(O)CC#N
|
| InChIKey |
QBEDBJPKDDGPJD-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132359
Similarity: 0.79
Similarity to MM132359
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8827 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61348
Similarity: 0.696
Similarity to MM61348
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8208 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138125
Similarity: 0.69
Similarity to MM138125
| Tanimoto metric | 0.69 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8166 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
