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DocumentationIdentifier: MM354758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354758 |
| SMILES |
CCC(=O)C(C)=C(C)C#N
|
| InChIKey |
TWIMWVCHNNRSRT-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161841
Similarity: 0.7717
Similarity to MM161841
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8711 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175521
Similarity: 0.7638
Similarity to MM175521
| Tanimoto metric | 0.7638 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.8661 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161598
Similarity: 0.6929
Similarity to MM161598
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8186 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+517 more
