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DocumentationIdentifier: MM250566
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250566 |
| SMILES |
CC(C)OCC(O)CC#N
|
| InChIKey |
WTJHRUFJZWYTQC-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
MM45744
Similarity: 0.8554
Similarity to MM45744
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291424
Similarity: 0.8068
Similarity to MM291424
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8939 |
| Dice metric | 0.8931 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291425
Similarity: 0.7802
Similarity to MM291425
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8768 |
| Dice metric | 0.8765 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
