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DocumentationIdentifier: MM304373
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304373 |
| SMILES |
C#CC=CCC(O)C(N)=O
|
| InChIKey |
JGDNRFSPHFQNGD-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73454
Similarity: 0.7372
Similarity to MM73454
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8487 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34458
Similarity: 0.6694
Similarity to MM34458
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.802 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352986
Similarity: 0.6601
Similarity to MM352986
| Tanimoto metric | 0.6601 |
|---|---|
| Cosine metric | 0.7962 |
| Dice metric | 0.7953 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+29 more
