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DocumentationIdentifier: MM237014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237014 |
| SMILES |
C=CCCC(=O)NC(=C)C
|
| InChIKey |
JGYGXLIDIKJWJO-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135521
Similarity: 0.8482
Similarity to MM135521
| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236901
Similarity: 0.7698
Similarity to MM236901
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.87 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236902
Similarity: 0.76
Similarity to MM236902
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8636 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+669 more
