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DocumentationIdentifier: MM365692
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365692 |
| SMILES |
C=CC(=C)CCCCC#N
|
| InChIKey |
YNBQLTQWZNDJQN-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166916
Similarity: 0.8281
Similarity to MM166916
| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.906 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152746
Similarity: 0.8167
Similarity to MM152746
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.8991 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302820
Similarity: 0.7763
Similarity to MM302820
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8741 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
