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DocumentationIdentifier: MM386294
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386294 |
| SMILES |
C=CCC=C(C=C)CC#N
|
| InChIKey |
MDZBSBYHAPBGGU-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179195
Similarity: 0.8721
Similarity to MM179195
| Tanimoto metric | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386179
Similarity: 0.8404
Similarity to MM386179
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9133 |
| Dice metric | 0.9133 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274420
Similarity: 0.7353
Similarity to MM274420
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8475 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
