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DocumentationIdentifier: MM213853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213853 |
| SMILES |
C=CCOCC=CC#N
|
| InChIKey |
AUCFVKQZBSDPIQ-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126080
Similarity: 0.9348
Similarity to MM126080
| Tanimoto metric | 0.9348 |
|---|---|
| Cosine metric | 0.9668 |
| Dice metric | 0.9663 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56270
Similarity: 0.7963
Similarity to MM56270
| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8866 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56166
Similarity: 0.7818
Similarity to MM56166
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.8776 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
