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DocumentationIdentifier: MM363671
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363671 |
| SMILES |
C=CCCC=CC(O)C#N
|
| InChIKey |
GKLYNCZVUJTDGB-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169598
Similarity: 0.8919
Similarity to MM169598
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363428
Similarity: 0.8148
Similarity to MM363428
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.898 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM114103
Similarity: 0.7432
Similarity to MM114103
| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8527 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+478 more
