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DocumentationIdentifier: MM358974
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358974 |
| SMILES |
CCC#CC(=O)C(O)C#N
|
| InChIKey |
QPTGTLSRUKUYQJ-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50901
Similarity: 0.877
Similarity to MM50901
| Tanimoto metric | 0.877 |
|---|---|
| Cosine metric | 0.9365 |
| Dice metric | 0.9345 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358976
Similarity: 0.8102
Similarity to MM358976
| Tanimoto metric | 0.8102 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8952 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90542
Similarity: 0.7883
Similarity to MM90542
| Tanimoto metric | 0.7883 |
|---|---|
| Cosine metric | 0.8816 |
| Dice metric | 0.8816 |
| MW: | 137.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
