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DocumentationIdentifier: MM297409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297409 |
| SMILES |
CCC(C(N)=O)=C(C)C=O
|
| InChIKey |
YOUJGRAIIPIYMQ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297260
Similarity: 0.8551
Similarity to MM297260
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9219 |
| Dice metric | 0.9219 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321643
Similarity: 0.8062
Similarity to MM321643
| Tanimoto metric | 0.8062 |
|---|---|
| Cosine metric | 0.8979 |
| Dice metric | 0.8927 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304703
Similarity: 0.7984
Similarity to MM304703
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.8879 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
