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DocumentationIdentifier: MM293376
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293376 |
| SMILES |
C=C(C=CCC=O)C(C)=O
|
| InChIKey |
JNDDTPUJGPSESL-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163418
Similarity: 0.9111
Similarity to MM163418
| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293314
Similarity: 0.875
Similarity to MM293314
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.9333 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255618
Similarity: 0.8137
Similarity to MM255618
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8973 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
