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DocumentationIdentifier: MM358680
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358680 |
| SMILES |
CCCCC(=O)C#CC#N
|
| InChIKey |
VAJJOIVPKQOCJB-UHFFFAOYSA-N
|
| MW [Da] |
135.17
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
MM158515
Similarity: 0.8736
Similarity to MM158515
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9325 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358874
Similarity: 0.8041
Similarity to MM358874
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8914 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358981
Similarity: 0.7835
Similarity to MM358981
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8786 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
