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DocumentationIdentifier: MM294117
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294117 |
| SMILES |
C=CCC(=C)C(=O)CC#N
|
| InChIKey |
WRSDFRHISUJRHX-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173682
Similarity: 0.8053
Similarity to MM173682
| Tanimoto metric | 0.8053 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8922 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173677
Similarity: 0.7345
Similarity to MM173677
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8469 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02484
Similarity: 0.7165
Similarity to MM02484
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8349 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
