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DocumentationIdentifier: MM378344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378344 |
| SMILES |
C#CC=CN(C=O)CC=C
|
| InChIKey |
WVUCFYFHNKEGRY-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200733
Similarity: 0.7921
Similarity to MM200733
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.884 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89124
Similarity: 0.6975
Similarity to MM89124
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8218 |
| Dice metric | 0.8218 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428174
Similarity: 0.6957
Similarity to MM428174
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.8205 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
