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DocumentationIdentifier: MM355503
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355503 |
| SMILES |
COCCC(C)OCC#N
|
| InChIKey |
KROUAYTYKMPGGH-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45721
Similarity: 0.8784
Similarity to MM45721
| Tanimoto metric | 0.8784 |
|---|---|
| Cosine metric | 0.9372 |
| Dice metric | 0.9353 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363312
Similarity: 0.8
Similarity to MM363312
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8889 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236529
Similarity: 0.75
Similarity to MM236529
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8571 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+458 more
