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DocumentationIdentifier: MM23839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23839 |
| SMILES |
C#CCN(C=O)CC=C
|
| InChIKey |
SCWNZGLLVMXLBI-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116121
Similarity: 0.7027
Similarity to MM116121
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116105
Similarity: 0.6892
Similarity to MM116105
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.816 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51329
Similarity: 0.6667
Similarity to MM51329
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8078 |
| Dice metric | 0.8 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+408 more
