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DocumentationIdentifier: MM397055
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397055 |
| SMILES |
NC(=O)C(C=O)=CCC=O
|
| InChIKey |
HKRWLVJVBDFJMV-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304685
Similarity: 0.7963
Similarity to MM304685
| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298956
Similarity: 0.754
Similarity to MM298956
| Tanimoto metric | 0.754 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8597 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298399
Similarity: 0.637
Similarity to MM298399
| Tanimoto metric | 0.637 |
|---|---|
| Cosine metric | 0.7785 |
| Dice metric | 0.7783 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
